2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine

C14H23N3 — CID 80977208

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(CC(C)C)c1C
InChIInChI=1S/C14H23N3/c1-5-15-13-10(4)12(8-9(2)3)16-14(17-13)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyXTJXATMCLOYCRK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.29
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 80977208) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID80977208
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(CC(C)C)c1C
InChIInChI=1S/C14H23N3/c1-5-15-13-10(4)12(8-9(2)3)16-14(17-13)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyXTJXATMCLOYCRK-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
2-cyclopropyl-N-ethyl-5-methyl-6-[2-(2-methylpropoxy)ethoxy]pyrimidin-4-amine
CID 106451543
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765745
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 80977208) is 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(C2CC2)nc(CC(C)C)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is XTJXATMCLOYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-15-13-10(4)12(8-9(2)3)16-14(17-13)11-6-7-11/h9,11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).