N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine

C23H30N6OS — CID 58234054

IUPACN,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc3nc(-c4cccnc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C23H30N6OS/c1-27-8-5-18(6-9-27)28(2)16-19-14-20-21(31-19)23(29-10-12-30-13-11-29)26-22(25-20)17-4-3-7-24-15-17/h3-4,7,14-15,18H,5-6,8-13,16H2,1-2H3
InChIKeyAKYVXELTDYNHGJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.12
Rot. Bonds5

About N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine

N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine (PubChem CID 58234054) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
PubChem CID58234054
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC NameN,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc3nc(-c4cccnc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C23H30N6OS/c1-27-8-5-18(6-9-27)28(2)16-19-14-20-21(31-19)23(29-10-12-30-13-11-29)26-22(25-20)17-4-3-7-24-15-17/h3-4,7,14-15,18H,5-6,8-13,16H2,1-2H3
InChIKeyAKYVXELTDYNHGJ-UHFFFAOYSA-N
XLogP3.12
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947792
3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051
4-[2-pyridin-3-yl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947793
1-cyclohexyl-N-methyl-N-[[2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-amine
CID 143690163
3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
1-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-ol;4-methylmorpholine
CID 69395746
3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11690718
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine
CID 150228567
N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide
CID 58441410
(2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide
CID 58491546
3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 69409597

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine (CID 58234054) is N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine is CN1CCC(N(C)Cc2cc3nc(-c4cccnc4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine?
The InChIKey is AKYVXELTDYNHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-27-8-5-18(6-9-27)28(2)16-19-14-20-21(31-19)23(29-10-12-30-13-11-29)26-22(25-20)17-4-3-7-24-15-17/h3-4,7,14-15,18H,5-6,8-13,16H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine has a molecular weight of 438.60 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 58234054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).