N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine

C13H19N5 — CID 80945798

IUPACN-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-4-6-12-16-11(7-13(17-12)14-5-2)10-8-15-18(3)9-10/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyMWCIIGLIBYWKCY-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds5

About N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine

N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine (PubChem CID 80945798) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
PubChem CID80945798
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H19N5/c1-4-6-12-16-11(7-13(17-12)14-5-2)10-8-15-18(3)9-10/h7-9H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyMWCIIGLIBYWKCY-UHFFFAOYSA-N
XLogP2.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
N-ethyl-2-(3-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715906
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
CID 106715921
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 107125410
N-ethyl-5-methyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80975348
[2-(ethylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716130
6-(1-methylpyrazol-4-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716615
6-(1-methylpyrazol-4-yl)-N-propyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 106715942
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80939152
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine (CID 80945798) is N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(-c2cnn(C)c2)n1.
What is the InChIKey of N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine?
The InChIKey is MWCIIGLIBYWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-6-12-16-11(7-13(17-12)14-5-2)10-8-15-18(3)9-10/h7-9H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine?
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).