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

C14H22N6 — CID 115991902

IUPAC4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C14H22N6/c1-5-6-12-17-13(15-3)7-14(18-12)16-8-11-9-20(4)19-10(11)2/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyIRKLGBOCUCSQJS-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.12
Rot. Bonds6

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

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 115991902) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID115991902
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C14H22N6/c1-5-6-12-17-13(15-3)7-14(18-12)16-8-11-9-20(4)19-10(11)2/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyIRKLGBOCUCSQJS-UHFFFAOYSA-N
XLogP2.12
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.12
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
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 115991901
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112672257
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626341
4-N-(1,3-dimethylpyrazol-4-yl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 102807842
6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80950114
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677
6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80946119

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 115991902) is 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(NCc2cn(C)nc2C)n1.
What is the InChIKey of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is IRKLGBOCUCSQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-5-6-12-17-13(15-3)7-14(18-12)16-8-11-9-20(4)19-10(11)2/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.12, 6 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-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 115991902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).