6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C16H21Cl2N5O — CID 175574719

IUPAC6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1c(CC(C)N)n(C)c2nc(Cl)nc(NCc3ccco3)c12.Cl
InChIInChI=1S/C16H20ClN5O.ClH/c1-9(18)7-12-10(2)13-14(19-8-11-5-4-6-23-11)20-16(17)21-15(13)22(12)3;/h4-6,9H,7-8,18H2,1-3H3,(H,19,20,21);1H
InChIKeyIOWIDUHWPHZWIX-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.45
Rot. Bonds5

About 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175574719) has the molecular formula C16H21Cl2N5O and a molecular weight of 370.28 g/mol. Its IUPAC name is 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID175574719
Molecular FormulaC16H21Cl2N5O
Molecular Weight370.28 g/mol
Exact Mass369.11
IUPAC Name6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1c(CC(C)N)n(C)c2nc(Cl)nc(NCc3ccco3)c12.Cl
InChIInChI=1S/C16H20ClN5O.ClH/c1-9(18)7-12-10(2)13-14(19-8-11-5-4-6-23-11)20-16(17)21-15(13)22(12)3;/h4-6,9H,7-8,18H2,1-3H3,(H,19,20,21);1H
InChIKeyIOWIDUHWPHZWIX-UHFFFAOYSA-N
XLogP3.45
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride with MolForge

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Related Compounds

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-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-N-(furan-2-ylmethyl)-7-methylfuro[3,2-d]pyrimidin-4-amine
CID 177282064
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
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
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
tert-butyl N-[(2S)-1-[2-chloro-4-(furan-2-ylmethylamino)-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-6-yl]propan-2-yl]carbamate
CID 164756023
6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 134480903

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 175574719) is 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cc1c(CC(C)N)n(C)c2nc(Cl)nc(NCc3ccco3)c12.Cl.
What is the InChIKey of 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is IOWIDUHWPHZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O.ClH/c1-9(18)7-12-10(2)13-14(19-8-11-5-4-6-23-11)20-16(17)21-15(13)22(12)3;/h4-6,9H,7-8,18H2,1-3H3,(H,19,20,21);1H.
What are the key properties of 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175574719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).