4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine

C16H28N4 — CID 63865959

IUPAC4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
SMILESCCNCc1nc(C(C)C)ncc1N(C)CC1CC1C
InChIInChI=1S/C16H28N4/c1-6-17-8-14-15(9-18-16(19-14)11(2)3)20(5)10-13-7-12(13)4/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyPWHYQQCXTHVKCU-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.80
Rot. Bonds7

About 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine

4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine (PubChem CID 63865959) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
PubChem CID63865959
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
SMILESCCNCc1nc(C(C)C)ncc1N(C)CC1CC1C
InChIInChI=1S/C16H28N4/c1-6-17-8-14-15(9-18-16(19-14)11(2)3)20(5)10-13-7-12(13)4/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyPWHYQQCXTHVKCU-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine (CID 63865959) is 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine is CCNCc1nc(C(C)C)ncc1N(C)CC1CC1C.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is PWHYQQCXTHVKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-17-8-14-15(9-18-16(19-14)11(2)3)20(5)10-13-7-12(13)4/h9,11-13,17H,6-8,10H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine?
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 276.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 63865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).