2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine

C14H16N6S2 — CID 122420545

IUPAC2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N[C@@H]3CCNC3)c3sccc3n2)sn1
InChIInChI=1S/C14H16N6S2/c1-8-6-11(22-20-8)18-14-17-10-3-5-21-12(10)13(19-14)16-9-2-4-15-7-9/h3,5-6,9,15H,2,4,7H2,1H3,(H2,16,17,18,19)/t9-/m1/s1
InChIKeyCPXOXVLMGSIECP-SECBINFHSA-N
MW332.46 g/mol
LogP2.97
Rot. Bonds4

About 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122420545) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID122420545
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N[C@@H]3CCNC3)c3sccc3n2)sn1
InChIInChI=1S/C14H16N6S2/c1-8-6-11(22-20-8)18-14-17-10-3-5-21-12(10)13(19-14)16-9-2-4-15-7-9/h3,5-6,9,15H,2,4,7H2,1H3,(H2,16,17,18,19)/t9-/m1/s1
InChIKeyCPXOXVLMGSIECP-SECBINFHSA-N
XLogP2.97
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 122420545) is 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(N[C@@H]3CCNC3)c3sccc3n2)sn1.
What is the InChIKey of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is CPXOXVLMGSIECP-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N6S2/c1-8-6-11(22-20-8)18-14-17-10-3-5-21-12(10)13(19-14)16-9-2-4-15-7-9/h3,5-6,9,15H,2,4,7H2,1H3,(H2,16,17,18,19)/t9-/m1/s1.
What are the key properties of 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 332.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122420545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).