6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

C15H20N8 — CID 166306983

IUPAC6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nn(CCNc2cc(-n3cccn3)nc(N)n2)c(C)c1C
InChIInChI=1S/C15H20N8/c1-10-11(2)21-22(12(10)3)8-6-17-13-9-14(20-15(16)19-13)23-7-4-5-18-23/h4-5,7,9H,6,8H2,1-3H3,(H3,16,17,19,20)
InChIKeyMJQNOINDSITPAK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.48
Rot. Bonds5

About 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine

6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 166306983) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID166306983
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nn(CCNc2cc(-n3cccn3)nc(N)n2)c(C)c1C
InChIInChI=1S/C15H20N8/c1-10-11(2)21-22(12(10)3)8-6-17-13-9-14(20-15(16)19-13)23-7-4-5-18-23/h4-5,7,9H,6,8H2,1-3H3,(H3,16,17,19,20)
InChIKeyMJQNOINDSITPAK-UHFFFAOYSA-N
XLogP1.48
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
4-N-[(2R)-2-methoxy-3,3-dimethylbutyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 97158743
4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133445534
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
4-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133454093
4-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133465070
3-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
CID 121072306
4-N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133479841
(2S)-2-[(2-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 122049696
6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
CID 133486848
6-(2,3-dimethylphenyl)-4-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 90189739

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine (CID 166306983) is 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine is Cc1nn(CCNc2cc(-n3cccn3)nc(N)n2)c(C)c1C.
What is the InChIKey of 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is MJQNOINDSITPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-10-11(2)21-22(12(10)3)8-6-17-13-9-14(20-15(16)19-13)23-7-4-5-18-23/h4-5,7,9H,6,8H2,1-3H3,(H3,16,17,19,20).
What are the key properties of 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine?
6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 312.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-4-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166306983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).