5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine

C21H27N7OS — CID 123441907

IUPAC5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C21H27N7OS/c1-14-2-4-27(5-3-14)12-16-13-30-19-17(15-10-23-20(22)24-11-15)25-21(26-18(16)19)28-6-8-29-9-7-28/h10-11,13-14H,2-9,12H2,1H3,(H2,22,23,24)
InChIKeyJTTWTHNWDDXSJA-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.80
Rot. Bonds4

About 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 123441907) has the molecular formula C21H27N7OS and a molecular weight of 425.56 g/mol. Its IUPAC name is 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID123441907
Molecular FormulaC21H27N7OS
Molecular Weight425.56 g/mol
Exact Mass425.20
IUPAC Name5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCC1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C21H27N7OS/c1-14-2-4-27(5-3-14)12-16-13-30-19-17(15-10-23-20(22)24-11-15)25-21(26-18(16)19)28-6-8-29-9-7-28/h10-11,13-14H,2-9,12H2,1H3,(H2,22,23,24)
InChIKeyJTTWTHNWDDXSJA-UHFFFAOYSA-N
XLogP2.80
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Apitolisib
CID 25254071
4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine
CID 24946706
5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
5-(4-Morpholino-thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109202
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
5-(6-(3-(Methylsulfonyl)phenyl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 46865531
N-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylmethanesulfonamide
CID 46886360
N-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 46886361
5-(7-Methyl-6-(3-(methylsulfonyl)phenyl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 46886375
2-Amino-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)ethanone
CID 56648675
2-Amino-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-methylpropan-1-one
CID 56648757

Frequently Asked Questions

What is the IUPAC name of 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 123441907) is 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine is CC1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is JTTWTHNWDDXSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7OS/c1-14-2-4-27(5-3-14)12-16-13-30-19-17(15-10-23-20(22)24-11-15)25-21(26-18(16)19)28-6-8-29-9-7-28/h10-11,13-14H,2-9,12H2,1H3,(H2,22,23,24).
What are the key properties of 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 425.56 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(4-methylpiperidin-1-yl)methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 123441907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).