6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine

C11H12ClN7 — CID 114786663

IUPAC6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(-n2cc(Cl)cn2)c2[nH]cnc2n1
InChIInChI=1S/C11H12ClN7/c1-2-3-13-11-17-9-8(14-6-15-9)10(18-11)19-5-7(12)4-16-19/h4-6H,2-3H2,1H3,(H2,13,14,15,17,18)
InChIKeyMTZAOXVOTIQYPD-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.01
Rot. Bonds4

About 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine

6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine (PubChem CID 114786663) has the molecular formula C11H12ClN7 and a molecular weight of 277.72 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine
PubChem CID114786663
Molecular FormulaC11H12ClN7
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(-n2cc(Cl)cn2)c2[nH]cnc2n1
InChIInChI=1S/C11H12ClN7/c1-2-3-13-11-17-9-8(14-6-15-9)10(18-11)19-5-7(12)4-16-19/h4-6H,2-3H2,1H3,(H2,13,14,15,17,18)
InChIKeyMTZAOXVOTIQYPD-UHFFFAOYSA-N
XLogP2.01
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloropyrazol-1-yl)-7H-purin-2-amine
CID 114786662
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
6-(3-ethylpyrrolidin-1-yl)-N-propyl-7H-purin-2-amine
CID 114786220
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
CID 114785384
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine
CID 114788474
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine (CID 114786663) is 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine is CCCNc1nc(-n2cc(Cl)cn2)c2[nH]cnc2n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine?
The InChIKey is MTZAOXVOTIQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN7/c1-2-3-13-11-17-9-8(14-6-15-9)10(18-11)19-5-7(12)4-16-19/h4-6H,2-3H2,1H3,(H2,13,14,15,17,18).
What are the key properties of 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine?
6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine has a molecular weight of 277.72 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 114786663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).