4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine

C10H15N7 — CID 114139819

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCc1c(CNc2cc(N)nc(N)n2)cnn1C
InChIInChI=1S/C10H15N7/c1-6-7(5-14-17(6)2)4-13-9-3-8(11)15-10(12)16-9/h3,5H,4H2,1-2H3,(H5,11,12,13,15,16)
InChIKeyVAZJIEUYSCAHEO-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.30
Rot. Bonds3

About 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 114139819) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID114139819
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCc1c(CNc2cc(N)nc(N)n2)cnn1C
InChIInChI=1S/C10H15N7/c1-6-7(5-14-17(6)2)4-13-9-3-8(11)15-10(12)16-9/h3,5H,4H2,1-2H3,(H5,11,12,13,15,16)
InChIKeyVAZJIEUYSCAHEO-UHFFFAOYSA-N
XLogP0.30
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 106041164
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318
2,6-ditert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 133405510
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106041359
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106041375
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine (CID 114139819) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine is Cc1c(CNc2cc(N)nc(N)n2)cnn1C.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is VAZJIEUYSCAHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-6-7(5-14-17(6)2)4-13-9-3-8(11)15-10(12)16-9/h3,5H,4H2,1-2H3,(H5,11,12,13,15,16).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 233.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 114139819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).