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

C13H19N5 — CID 80857593

IUPACN-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H19N5/c1-6-14-13-15-7-8(2)12(16-13)18-11(5)9(3)10(4)17-18/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyZAUONAWWHLNAOI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds3

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

N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 80857593) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID80857593
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H19N5/c1-6-14-13-15-7-8(2)12(16-13)18-11(5)9(3)10(4)17-18/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyZAUONAWWHLNAOI-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80857052
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
4-(3,5-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80767776
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887788
N-[[5-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80636117
N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992607
4-(3,5-dimethylpyrazol-1-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80853428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine (CID 80857593) is N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine is CCNc1ncc(C)c(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is ZAUONAWWHLNAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-6-14-13-15-7-8(2)12(16-13)18-11(5)9(3)10(4)17-18/h7H,6H2,1-5H3,(H,14,15,16).
What are the key properties of N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80857593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).