2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine

C15H21N9 — CID 162649816

IUPAC2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine
SMILESCn1cc(Nc2nc(NCCN3CCCC3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C15H21N9/c1-23-9-11(8-19-23)20-15-21-13(12-14(22-15)18-10-17-12)16-4-7-24-5-2-3-6-24/h8-10H,2-7H2,1H3,(H3,16,17,18,20,21,22)
InChIKeyYJHFGSXQGQSFPG-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.34
Rot. Bonds6

About 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine

2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine (PubChem CID 162649816) has the molecular formula C15H21N9 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine
PubChem CID162649816
Molecular FormulaC15H21N9
Molecular Weight327.40 g/mol
Exact Mass327.19
IUPAC Name2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine
SMILESCn1cc(Nc2nc(NCCN3CCCC3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C15H21N9/c1-23-9-11(8-19-23)20-15-21-13(12-14(22-15)18-10-17-12)16-4-7-24-5-2-3-6-24/h8-10H,2-7H2,1H3,(H3,16,17,18,20,21,22)
InChIKeyYJHFGSXQGQSFPG-UHFFFAOYSA-N
XLogP1.34
TPSA99.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

ST-1535
CID 9860294
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9877796
9-Methyl-2-pentyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9814428
2,9-Dimethyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
CID 9856035
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 89720115
8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]purin-6-amine
CID 90168751
1-[(3S,4S)-3-fluoro-4-[[6-[(1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 118073538
N-((3R,4R)-4-fluoro-1-(9-isopropyl-6-((1-methyl-1H-pyrazol-4-yl)amino)-9H-purin-2-yl)pyrrolidin-3-yl)acrylamide
CID 118073677
N-((3S,4S)-4-fluoro-1-(9-isopropyl-6-((1-methyl-1H-pyrazol-4-yl)amino)-9H-purin-2-yl)pyrrolidin-3-yl)acrylamide
CID 118073685
N-[(3S)-1-[6-[(1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]pyrrolidin-3-yl]prop-2-enamide
CID 118073730
1-[(3R)-3-[[6-[(1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 135128874
5,8-Dimethyl-2-[2-(2-methyl-5-pyrazol-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415248

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine (CID 162649816) is 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine is Cn1cc(Nc2nc(NCCN3CCCC3)c3[nH]cnc3n2)cn1.
What is the InChIKey of 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine?
The InChIKey is YJHFGSXQGQSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9/c1-23-9-11(8-19-23)20-15-21-13(12-14(22-15)18-10-17-12)16-4-7-24-5-2-3-6-24/h8-10H,2-7H2,1H3,(H3,16,17,18,20,21,22).
What are the key properties of 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine?
2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine has a molecular weight of 327.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 162649816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).