N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

C29H30N6OS — CID 58336362

IUPACN-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCCc1nccc(-c2cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C29H30N6OS/c1-4-26-30-10-7-24(34-26)20-13-19-5-6-22(36-3)15-23(19)25(14-20)33-21-8-11-35(12-9-21)29-28-27(31-17-32-29)18(2)16-37-28/h5-7,10,13-17,21,33H,4,8-9,11-12H2,1-3H3
InChIKeyJWWAMJKOQQAWDL-UHFFFAOYSA-N
MW510.67 g/mol
LogP6.26
Rot. Bonds6

About N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 58336362) has the molecular formula C29H30N6OS and a molecular weight of 510.67 g/mol. Its IUPAC name is N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID58336362
Molecular FormulaC29H30N6OS
Molecular Weight510.67 g/mol
Exact Mass510.22
IUPAC NameN-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCCc1nccc(-c2cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C29H30N6OS/c1-4-26-30-10-7-24(34-26)20-13-19-5-6-22(36-3)15-23(19)25(14-20)33-21-8-11-35(12-9-21)29-28-27(31-17-32-29)18(2)16-37-28/h5-7,10,13-17,21,33H,4,8-9,11-12H2,1-3H3
InChIKeyJWWAMJKOQQAWDL-UHFFFAOYSA-N
XLogP6.26
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.67
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
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
(2S)-1-N-[7-(5-tert-butyl-2-methoxyphenyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596477
(2S)-1-N-[7-(4-methoxy-3-pyridinyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596529

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (CID 58336362) is N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is CCc1nccc(-c2cc(NC3CCN(c4ncnc5c(C)csc45)CC3)c3cc(OC)ccc3c2)n1.
What is the InChIKey of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is JWWAMJKOQQAWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6OS/c1-4-26-30-10-7-24(34-26)20-13-19-5-6-22(36-3)15-23(19)25(14-20)33-21-8-11-35(12-9-21)29-28-27(31-17-32-29)18(2)16-37-28/h5-7,10,13-17,21,33H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 510.67 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 58336362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).