6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H20ClN5O — CID 175574716

IUPAC6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)C(N)Cc1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1
InChIInChI=1S/C16H20ClN5O/c1-9(2)13(18)7-10-6-12-14(19-8-11-4-3-5-23-11)21-16(17)22-15(12)20-10/h3-6,9,13H,7-8,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyBTPFAJRZNRZKCC-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.34
Rot. Bonds6

About 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175574716) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175574716
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)C(N)Cc1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1
InChIInChI=1S/C16H20ClN5O/c1-9(2)13(18)7-10-6-12-14(19-8-11-4-3-5-23-11)21-16(17)22-15(12)20-10/h3-6,9,13H,7-8,18H2,1-2H3,(H2,19,20,21,22)
InChIKeyBTPFAJRZNRZKCC-UHFFFAOYSA-N
XLogP3.34
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
6-[(2S)-2-aminopropyl]-2-chloro-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865848
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 134480566
6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-[(2S)-2-aminopropyl]-2-chloro-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 175574716) is 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)C(N)Cc1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.
What is the InChIKey of 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BTPFAJRZNRZKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-9(2)13(18)7-10-6-12-14(19-8-11-4-3-5-23-11)21-16(17)22-15(12)20-10/h3-6,9,13H,7-8,18H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 333.82 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175574716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).