2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine

C16H20N4 — CID 80813661

IUPAC2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C16H20N4/c1-3-17-16-18-10-11(2)15(20-16)19-14-9-13(14)12-7-5-4-6-8-12/h4-8,10,13-14H,3,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyUGJYKPBPOFMOOA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.18
Rot. Bonds5

About 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine (PubChem CID 80813661) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine
PubChem CID80813661
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CC2c2ccccc2)n1
InChIInChI=1S/C16H20N4/c1-3-17-16-18-10-11(2)15(20-16)19-14-9-13(14)12-7-5-4-6-8-12/h4-8,10,13-14H,3,9H2,1-2H3,(H2,17,18,19,20)
InChIKeyUGJYKPBPOFMOOA-UHFFFAOYSA-N
XLogP3.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
CID 164630320
6-N-ethyl-2-N-(2-phenylcyclopropyl)pyrazine-2,6-diamine
CID 78918109
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
CID 80817562
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
5-fluoro-N-(2-phenylcyclopropyl)pyrimidin-2-amine
CID 112703145
4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
CID 62958917
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855633
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine (CID 80813661) is 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NC2CC2c2ccccc2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine?
The InChIKey is UGJYKPBPOFMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-17-16-18-10-11(2)15(20-16)19-14-9-13(14)12-7-5-4-6-8-12/h4-8,10,13-14H,3,9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(2-phenylcyclopropyl)pyrimidine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.18, 5 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-(2-phenylcyclopropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80813661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).