2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine

C14H24N4 — CID 80959981

IUPAC2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
SMILESCCC(C)CN(CC)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H24N4/c1-4-10(3)9-18(5-2)13-8-12(15)16-14(17-13)11-6-7-11/h8,10-11H,4-7,9H2,1-3H3,(H2,15,16,17)
InChIKeyURFMFMZKKVOYKK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.81
Rot. Bonds6

About 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 80959981) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
PubChem CID80959981
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
SMILESCCC(C)CN(CC)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H24N4/c1-4-10(3)9-18(5-2)13-8-12(15)16-14(17-13)11-6-7-11/h8,10-11H,4-7,9H2,1-3H3,(H2,15,16,17)
InChIKeyURFMFMZKKVOYKK-UHFFFAOYSA-N
XLogP2.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80961509
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
CID 80964091
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
CID 122238996
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80963764
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
6-N-ethyl-6-N-(2-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071217
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967075

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine (CID 80959981) is 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine is CCC(C)CN(CC)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is URFMFMZKKVOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-10(3)9-18(5-2)13-8-12(15)16-14(17-13)11-6-7-11/h8,10-11H,4-7,9H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).