2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine

C14H22N4 — CID 80958721

IUPAC2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(CC1CC1)c1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C14H22N4/c1-3-18(9-10-4-5-10)13-8-12(15-2)16-14(17-13)11-6-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyFJOSYFUGBJEWQW-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.63
Rot. Bonds6

About 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80958721) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80958721
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCN(CC1CC1)c1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C14H22N4/c1-3-18(9-10-4-5-10)13-8-12(15-2)16-14(17-13)11-6-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyFJOSYFUGBJEWQW-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80961755
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80800000
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80957495
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80968162
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]-ethylamino]-N-methylacetamide
CID 80961853

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80958721) is 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine is CCN(CC1CC1)c1cc(NC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is FJOSYFUGBJEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-18(9-10-4-5-10)13-8-12(15-2)16-14(17-13)11-6-7-11/h8,10-11H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.63, 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-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80958721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).