4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine

C28H29N7OS — CID 123142806

IUPAC4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccc2cc(Cc3ccnc(N)n3)cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c2c1
InChIInChI=1S/C28H29N7OS/c1-17-15-37-26-25(17)31-16-32-27(26)35-9-6-20(7-10-35)33-24-13-18(12-21-5-8-30-28(29)34-21)11-19-3-4-22(36-2)14-23(19)24/h3-5,8,11,13-16,20,33H,6-7,9-10,12H2,1-2H3,(H2,29,30,34)
InChIKeyKJCNBJRCPSYYPG-UHFFFAOYSA-N
MW511.66 g/mol
LogP5.21
Rot. Bonds6

About 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine

4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine (PubChem CID 123142806) has the molecular formula C28H29N7OS and a molecular weight of 511.66 g/mol. Its IUPAC name is 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine
PubChem CID123142806
Molecular FormulaC28H29N7OS
Molecular Weight511.66 g/mol
Exact Mass511.22
IUPAC Name4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccc2cc(Cc3ccnc(N)n3)cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c2c1
InChIInChI=1S/C28H29N7OS/c1-17-15-37-26-25(17)31-16-32-27(26)35-9-6-20(7-10-35)33-24-13-18(12-21-5-8-30-28(29)34-21)11-19-3-4-22(36-2)14-23(19)24/h3-5,8,11,13-16,20,33H,6-7,9-10,12H2,1-2H3,(H2,29,30,34)
InChIKeyKJCNBJRCPSYYPG-UHFFFAOYSA-N
XLogP5.21
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
4-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 24671647
7-[2-(4-Methoxyanilino)pyrimidin-4-yl]-4-thiophen-3-ylisoquinolin-1-amine
CID 44528971
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)thieno[3,2-d]pyrimidin-2-amine
CID 129907933
N-[2-(4-methoxyphenyl)cyclopropyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 132254541
4-amino-N-[1-(4-methoxyanilino)-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 71602593
6-fluoro-2-N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,3]thiazolo[4,5-b]pyridin-6-yl)quinazoline-2,5-diamine
CID 164514643
6-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 17560474
4-N-[(2,4-dimethylphenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 49778650
6-(1,3-benzothiazol-6-yl)-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine
CID 71465369
(2S)-1-N-[6-methyl-7-(5-methyl-2-propan-2-yloxyphenyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596449
(2S)-1-N-[7-(3-methoxy-4-pyridinyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596469

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine (CID 123142806) is 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine is COc1ccc2cc(Cc3ccnc(N)n3)cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c2c1.
What is the InChIKey of 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is KJCNBJRCPSYYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7OS/c1-17-15-37-26-25(17)31-16-32-27(26)35-9-6-20(7-10-35)33-24-13-18(12-21-5-8-30-28(29)34-21)11-19-3-4-22(36-2)14-23(19)24/h3-5,8,11,13-16,20,33H,6-7,9-10,12H2,1-2H3,(H2,29,30,34).
What are the key properties of 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine?
4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 511.66 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methoxy-4-[[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]amino]naphthalen-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 123142806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).