6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine

C14H16ClN5OS — CID 170337879

IUPAC6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@@H](C)N)oc2c(NCc3nccs3)nc(Cl)nc12
InChIInChI=1S/C14H16ClN5OS/c1-7(16)5-9-8(2)11-12(21-9)13(20-14(15)19-11)18-6-10-17-3-4-22-10/h3-4,7H,5-6,16H2,1-2H3,(H,18,19,20)/t7-/m1/s1
InChIKeyDCVQXGQCYHFVFU-SSDOTTSWSA-N
MW337.84 g/mol
LogP3.14
Rot. Bonds5

About 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine

6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 170337879) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
PubChem CID170337879
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC Name6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@@H](C)N)oc2c(NCc3nccs3)nc(Cl)nc12
InChIInChI=1S/C14H16ClN5OS/c1-7(16)5-9-8(2)11-12(21-9)13(20-14(15)19-11)18-6-10-17-3-4-22-10/h3-4,7H,5-6,16H2,1-2H3,(H,18,19,20)/t7-/m1/s1
InChIKeyDCVQXGQCYHFVFU-SSDOTTSWSA-N
XLogP3.14
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine (CID 170337879) is 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine is Cc1c(C[C@@H](C)N)oc2c(NCc3nccs3)nc(Cl)nc12.
What is the InChIKey of 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is DCVQXGQCYHFVFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-7(16)5-9-8(2)11-12(21-9)13(20-14(15)19-11)18-6-10-17-3-4-22-10/h3-4,7H,5-6,16H2,1-2H3,(H,18,19,20)/t7-/m1/s1.
What are the key properties of 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine?
6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 337.84 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170337879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).