5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

C22H29N7O3S2 — CID 66934070

IUPAC5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCC1NCCN(Cc2cc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3s2)C1S(C)(=O)=O
InChIInChI=1S/C22H29N7O3S2/c1-14-22(34(2,30)31)29(6-5-24-14)13-16-11-17-19(33-16)21(28-7-9-32-10-8-28)27-20(26-17)15-3-4-18(23)25-12-15/h3-4,11-12,14,22,24H,5-10,13H2,1-2H3,(H2,23,25)
InChIKeyLYGIHRHPLMUBKC-UHFFFAOYSA-N
MW503.65 g/mol
LogP1.34
Rot. Bonds5

About 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 66934070) has the molecular formula C22H29N7O3S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
PubChem CID66934070
Molecular FormulaC22H29N7O3S2
Molecular Weight503.65 g/mol
Exact Mass503.18
IUPAC Name5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCC1NCCN(Cc2cc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3s2)C1S(C)(=O)=O
InChIInChI=1S/C22H29N7O3S2/c1-14-22(34(2,30)31)29(6-5-24-14)13-16-11-17-19(33-16)21(28-7-9-32-10-8-28)27-20(26-17)15-3-4-18(23)25-12-15/h3-4,11-12,14,22,24H,5-10,13H2,1-2H3,(H2,23,25)
InChIKeyLYGIHRHPLMUBKC-UHFFFAOYSA-N
XLogP1.34
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 46180663
(2S)-1-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]sulfonylpropan-2-ol
CID 59829562
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
5-[6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58233915
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369
2-[[5-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]-2-pyridinyl]amino]ethanol
CID 66934280
4-[2-(6-methoxy-3-pyridinyl)-6-[(4-methylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 143690144
5-[4-morpholin-4-yl-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 58234082
4-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24947792

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (CID 66934070) is 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is CC1NCCN(Cc2cc3nc(-c4ccc(N)nc4)nc(N4CCOCC4)c3s2)C1S(C)(=O)=O.
What is the InChIKey of 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is LYGIHRHPLMUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3S2/c1-14-22(34(2,30)31)29(6-5-24-14)13-16-11-17-19(33-16)21(28-7-9-32-10-8-28)27-20(26-17)15-3-4-18(23)25-12-15/h3-4,11-12,14,22,24H,5-10,13H2,1-2H3,(H2,23,25).
What are the key properties of 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 503.65 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3-methyl-2-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 66934070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).