5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine

C14H22N6 — CID 77092294

IUPAC5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN(C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C14H22N6/c1-4-5-15-14-16-6-12(7-17-14)9-19(2)10-13-8-18-20(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,16,17)
InChIKeyHEQFKZLCGMJWJQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.66
Rot. Bonds7

About 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine

5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine (PubChem CID 77092294) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine
PubChem CID77092294
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN(C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C14H22N6/c1-4-5-15-14-16-6-12(7-17-14)9-19(2)10-13-8-18-20(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,16,17)
InChIKeyHEQFKZLCGMJWJQ-UHFFFAOYSA-N
XLogP1.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80972233
1-methyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221090
n-Ethyl-1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227491
1-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221087
N-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 221089
N-{[2-(ethylthio)pyrimidin-5-yl]methyl}-2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 46983792
N-Propyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015218
N-ethyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 53015219
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 53522536
2-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 56817471
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine (CID 77092294) is 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN(C)Cc2cnn(C)c2)cn1.
What is the InChIKey of 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is HEQFKZLCGMJWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-5-15-14-16-6-12(7-17-14)9-19(2)10-13-8-18-20(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 77092294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).