6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine

C12H18N6 — CID 19135549

IUPAC6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
SMILESCCCNc1ncnc(-n2nc(C)cc2C)c1N
InChIInChI=1S/C12H18N6/c1-4-5-14-11-10(13)12(16-7-15-11)18-9(3)6-8(2)17-18/h6-7H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyCBCYBSJTSKBAAJ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.68
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine

6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine (PubChem CID 19135549) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
PubChem CID19135549
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
SMILESCCCNc1ncnc(-n2nc(C)cc2C)c1N
InChIInChI=1S/C12H18N6/c1-4-5-14-11-10(13)12(16-7-15-11)18-9(3)6-8(2)17-18/h6-7H,4-5,13H2,1-3H3,(H,14,15,16)
InChIKeyCBCYBSJTSKBAAJ-UHFFFAOYSA-N
XLogP1.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 19152787
4-N-(3,5-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 22541100
4-chloro-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-amine
CID 23477640
6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19149692
4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
6-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80852866
4-N-butyl-6-(3,5-dimethylpyrazol-1-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19139911
6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144993
6-(benzotriazol-1-yl)-4-N-propylpyrimidine-4,5-diamine
CID 19135548
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19154412
N'-[5-amino-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152363
6-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22534887

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine (CID 19135549) is 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine is CCCNc1ncnc(-n2nc(C)cc2C)c1N.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine?
The InChIKey is CBCYBSJTSKBAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-5-14-11-10(13)12(16-7-15-11)18-9(3)6-8(2)17-18/h6-7H,4-5,13H2,1-3H3,(H,14,15,16).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine?
6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-4-N-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 19135549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).