6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H16ClFN6 — CID 175574729

IUPAC6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(N)Cc1[nH]c2nc(Cl)nc(NCc3cccnc3)c2c1F
InChIInChI=1S/C15H16ClFN6/c1-8(18)5-10-12(17)11-13(22-15(16)23-14(11)21-10)20-7-9-3-2-4-19-6-9/h2-4,6,8H,5,7,18H2,1H3,(H2,20,21,22,23)
InChIKeyGNXTXWHJAOFYFL-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.65
Rot. Bonds5

About 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175574729) has the molecular formula C15H16ClFN6 and a molecular weight of 334.79 g/mol. Its IUPAC name is 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175574729
Molecular FormulaC15H16ClFN6
Molecular Weight334.79 g/mol
Exact Mass334.11
IUPAC Name6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(N)Cc1[nH]c2nc(Cl)nc(NCc3cccnc3)c2c1F
InChIInChI=1S/C15H16ClFN6/c1-8(18)5-10-12(17)11-13(22-15(16)23-14(11)21-10)20-7-9-3-2-4-19-6-9/h2-4,6,8H,5,7,18H2,1H3,(H2,20,21,22,23)
InChIKeyGNXTXWHJAOFYFL-UHFFFAOYSA-N
XLogP2.65
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[(2S)-2-aminopropyl]-2-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155067008
6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
2-chloro-N-(pyridin-3-ylmethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 54020672
2-N-ethyl-5-fluoro-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80771845
6-(2-aminopropyl)-2-chloro-5-fluoro-7-methyl-N-(1,3-thiazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 175574684
6-cyclobutyl-5-fluoro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 171328184

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 175574729) is 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(N)Cc1[nH]c2nc(Cl)nc(NCc3cccnc3)c2c1F.
What is the InChIKey of 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GNXTXWHJAOFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN6/c1-8(18)5-10-12(17)11-13(22-15(16)23-14(11)21-10)20-7-9-3-2-4-19-6-9/h2-4,6,8H,5,7,18H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 334.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-2-chloro-5-fluoro-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175574729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).