4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine

C13H20N6 — CID 106041164

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C13H20N6/c1-4-5-12-17-11(14)6-13(18-12)15-7-10-8-16-19(3)9(10)2/h6,8H,4-5,7H2,1-3H3,(H3,14,15,17,18)
InChIKeySBDJHHDVWMBICE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds5

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

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 106041164) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID106041164
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C13H20N6/c1-4-5-12-17-11(14)6-13(18-12)15-7-10-8-16-19(3)9(10)2/h6,8H,4-5,7H2,1-3H3,(H3,14,15,17,18)
InChIKeySBDJHHDVWMBICE-UHFFFAOYSA-N
XLogP1.67
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
4-N-[(4-methylthiophen-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950406
4-N-[(2-ethylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80949951
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106041509
4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 114139889
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyrazin-2-amine
CID 106043318

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 106041164) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCc2cnn(C)c2C)n1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is SBDJHHDVWMBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-5-12-17-11(14)6-13(18-12)15-7-10-8-16-19(3)9(10)2/h6,8H,4-5,7H2,1-3H3,(H3,14,15,17,18).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106041164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).