N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine

C11H13N7 — CID 164631150

IUPACN-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1ccn(C)n1
InChIInChI=1S/C11H13N7/c1-7(8-3-4-18(2)17-8)16-11-9-10(13-5-12-9)14-6-15-11/h3-7H,1-2H3,(H2,12,13,14,15,16)/t7-/m0/s1
InChIKeyFLUUKCRSZWAKAF-ZETCQYMHSA-N
MW243.27 g/mol
LogP1.26
Rot. Bonds3

About N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine

N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine (PubChem CID 164631150) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine
PubChem CID164631150
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1ncnc2nc[nH]c12)c1ccn(C)n1
InChIInChI=1S/C11H13N7/c1-7(8-3-4-18(2)17-8)16-11-9-10(13-5-12-9)14-6-15-11/h3-7H,1-2H3,(H2,12,13,14,15,16)/t7-/m0/s1
InChIKeyFLUUKCRSZWAKAF-ZETCQYMHSA-N
XLogP1.26
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine (CID 164631150) is N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine is C[C@H](Nc1ncnc2nc[nH]c12)c1ccn(C)n1.
What is the InChIKey of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine?
The InChIKey is FLUUKCRSZWAKAF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N7/c1-7(8-3-4-18(2)17-8)16-11-9-10(13-5-12-9)14-6-15-11/h3-7H,1-2H3,(H2,12,13,14,15,16)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine?
N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine has a molecular weight of 243.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 164631150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).