6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine

C15H17ClN4O2 — CID 177282064

IUPAC6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)oc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C15H17ClN4O2/c1-8(17)6-11-9(2)12-13(22-11)14(20-15(16)19-12)18-7-10-4-3-5-21-10/h3-5,8H,6-7,17H2,1-2H3,(H,18,19,20)/t8-/m0/s1
InChIKeyPJPBVNDFQGOCLF-QMMMGPOBSA-N
MW320.78 g/mol
LogP3.28
Rot. Bonds5

About 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine

6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine (PubChem CID 177282064) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
PubChem CID177282064
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
SMILESCc1c(C[C@H](C)N)oc2c(NCc3ccco3)nc(Cl)nc12
InChIInChI=1S/C15H17ClN4O2/c1-8(17)6-11-9(2)12-13(22-11)14(20-15(16)19-12)18-7-10-4-3-5-21-10/h3-5,8H,6-7,17H2,1-2H3,(H,18,19,20)/t8-/m0/s1
InChIKeyPJPBVNDFQGOCLF-QMMMGPOBSA-N
XLogP3.28
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[(2R)-2-amino-3,3-difluoropropyl]-2,7-dichloro-N-(furan-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 177282069
6-[(2R)-2-aminopropyl]-2-chloro-7-methyl-N-(1,3-thiazol-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 170337879
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-(2-aminopropyl)-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574671
6-[(2S)-2-aminopropyl]-2-chloro-7-ethyl-5-fluoro-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 164865775
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644582

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine (CID 177282064) is 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine is Cc1c(C[C@H](C)N)oc2c(NCc3ccco3)nc(Cl)nc12.
What is the InChIKey of 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine?
The InChIKey is PJPBVNDFQGOCLF-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-8(17)6-11-9(2)12-13(22-11)14(20-15(16)19-12)18-7-10-4-3-5-21-10/h3-5,8H,6-7,17H2,1-2H3,(H,18,19,20)/t8-/m0/s1.
What are the key properties of 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine?
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine has a molecular weight of 320.78 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 177282064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).