4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine

C11H16N6 — CID 112672257

IUPAC4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2cn(C)nc2C)nc(N)n1
InChIInChI=1S/C11H16N6/c1-7-4-10(15-11(12)14-7)13-5-9-6-17(3)16-8(9)2/h4,6H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyXFKIMVXRBLHAKW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.02
Rot. Bonds3

About 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112672257) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112672257
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2cn(C)nc2C)nc(N)n1
InChIInChI=1S/C11H16N6/c1-7-4-10(15-11(12)14-7)13-5-9-6-17(3)16-8(9)2/h4,6H,5H2,1-3H3,(H3,12,13,14,15)
InChIKeyXFKIMVXRBLHAKW-UHFFFAOYSA-N
XLogP1.02
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 112672280
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 115991901
2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 112668322
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672305
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 115991902
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoro-3-methylaniline
CID 82686795
4-N-[(2,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 56811795
3-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 112668298
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112672257) is 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2cn(C)nc2C)nc(N)n1.
What is the InChIKey of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is XFKIMVXRBLHAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-4-10(15-11(12)14-7)13-5-9-6-17(3)16-8(9)2/h4,6H,5H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112672257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).