2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine

C13H24N4 — CID 80802888

IUPAC2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(C)C(C)CC)n1
InChIInChI=1S/C13H24N4/c1-6-9(3)11(5)16-12-10(4)8-15-13(17-12)14-7-2/h8-9,11H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyRWIVXHFVUXHEDP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.06
Rot. Bonds6

About 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80802888) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
PubChem CID80802888
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC(C)C(C)CC)n1
InChIInChI=1S/C13H24N4/c1-6-9(3)11(5)16-12-10(4)8-15-13(17-12)14-7-2/h8-9,11H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyRWIVXHFVUXHEDP-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79075572
5-chloro-2-N-ethyl-4-N-(3-ethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80846037
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-5-fluoropyrimidine-2,4-diamine
CID 80838421
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80806994
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152265
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
4-N-butan-2-yl-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 80765829

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine (CID 80802888) is 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NC(C)C(C)CC)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is RWIVXHFVUXHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-9(3)11(5)16-12-10(4)8-15-13(17-12)14-7-2/h8-9,11H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(3-methylpentan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80802888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).