N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine

C16H25N5 — CID 80992607

IUPACN-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C16H25N5/c1-7-9-14-18-15(17-8-2)11(4)16(19-14)21-13(6)10(3)12(5)20-21/h7-9H2,1-6H3,(H,17,18,19)
InChIKeyWIJDLPHAJUXGQN-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.28
Rot. Bonds5

About N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine

N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80992607) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80992607
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C16H25N5/c1-7-9-14-18-15(17-8-2)11(4)16(19-14)21-13(6)10(3)12(5)20-21/h7-9H2,1-6H3,(H,17,18,19)
InChIKeyWIJDLPHAJUXGQN-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992240
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80992528
N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992338
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985308
N-ethyl-5-methyl-6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-amine
CID 80993713
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
6-(3-cyclopropylpyrazol-1-yl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80987997
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80992252
1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683989
[1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789896

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine (CID 80992607) is N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine is CCCc1nc(NCC)c(C)c(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is WIJDLPHAJUXGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-7-9-14-18-15(17-8-2)11(4)16(19-14)21-13(6)10(3)12(5)20-21/h7-9H2,1-6H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80992607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).