6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide

C16H17N5O2S — CID 138635849

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cncs1
InChIInChI=1S/C16H17N5O2S/c1-9-11(14(22)18-6-10-5-17-8-24-10)12-13(21-16(2)3-4-16)19-7-20-15(12)23-9/h5,7-8H,3-4,6H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyXBBHAVWLQQLWLL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.88
Rot. Bonds5

About 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635849) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635849
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cncs1
InChIInChI=1S/C16H17N5O2S/c1-9-11(14(22)18-6-10-5-17-8-24-10)12-13(21-16(2)3-4-16)19-7-20-15(12)23-9/h5,7-8H,3-4,6H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyXBBHAVWLQQLWLL-UHFFFAOYSA-N
XLogP2.88
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide (CID 138635849) is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1cncs1.
What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XBBHAVWLQQLWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-11(14(22)18-6-10-5-17-8-24-10)12-13(21-16(2)3-4-16)19-7-20-15(12)23-9/h5,7-8H,3-4,6H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).