2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane

C19H30N10 — CID 144695467

IUPAC2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane
SMILESCC.CC.CCn1cc(Nc2ncc3nc(N)n(-c4cnn(CC)c4)c3n2)cn1
InChIInChI=1S/C15H18N10.2C2H6/c1-3-23-8-10(5-18-23)20-15-17-7-12-13(22-15)25(14(16)21-12)11-6-19-24(4-2)9-11;2*1-2/h5-9H,3-4H2,1-2H3,(H2,16,21)(H,17,20,22);2*1-2H3
InChIKeyDFOCCDDYJOXJLK-UHFFFAOYSA-N
MW398.52 g/mol
LogP3.63
Rot. Bonds5

About 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane

2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane (PubChem CID 144695467) has the molecular formula C19H30N10 and a molecular weight of 398.52 g/mol. Its IUPAC name is 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane.

Molecular Properties

Compound Name2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane
PubChem CID144695467
Molecular FormulaC19H30N10
Molecular Weight398.52 g/mol
Exact Mass398.27
IUPAC Name2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane
SMILESCC.CC.CCn1cc(Nc2ncc3nc(N)n(-c4cnn(CC)c4)c3n2)cn1
InChIInChI=1S/C15H18N10.2C2H6/c1-3-23-8-10(5-18-23)20-15-17-7-12-13(22-15)25(14(16)21-12)11-6-19-24(4-2)9-11;2*1-2/h5-9H,3-4H2,1-2H3,(H2,16,21)(H,17,20,22);2*1-2H3
InChIKeyDFOCCDDYJOXJLK-UHFFFAOYSA-N
XLogP3.63
TPSA117.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[2-[(1-ethylpyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
CID 68756720
3-(1-ethylimino-3-iminopropan-2-yl)-N-(1-ethylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 123527628
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
1-[(3-bromo-5-fluorophenyl)methyl]-N-(1-ethylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 173472529
3-(4-ethoxyphenyl)-N-[1-(3-methoxypropyl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 71668072
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2-fluoro-6-methylphenyl)methylamino]pyrimidine-5-carboxylic acid
CID 155011100
2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 165112238
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300
1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine
CID 156571539
5-[4-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]pyrazol-1-yl]pentan-1-ol
CID 123417343
3-chloro-6-N-(1-ethylpyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 153060916
N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617

Frequently Asked Questions

What is the IUPAC name of 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane?
The IUPAC name of 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane (CID 144695467) is 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane.
What is the SMILES notation for 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane?
The canonical SMILES for 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane is CC.CC.CCn1cc(Nc2ncc3nc(N)n(-c4cnn(CC)c4)c3n2)cn1.
What is the InChIKey of 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane?
The InChIKey is DFOCCDDYJOXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N10.2C2H6/c1-3-23-8-10(5-18-23)20-15-17-7-12-13(22-15)25(14(16)21-12)11-6-19-24(4-2)9-11;2*1-2/h5-9H,3-4H2,1-2H3,(H2,16,21)(H,17,20,22);2*1-2H3.
What are the key properties of 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane?
2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane has a molecular weight of 398.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,9-bis(1-ethylpyrazol-4-yl)purine-2,8-diamine;ethane is sourced from PubChem (CID 144695467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).