2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine

C14H24N4 — CID 80658200

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)C2CCCC2)n1
InChIInChI=1S/C14H24N4/c1-4-15-13-9-11(2)16-14(17-13)10-18(3)12-7-5-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyBMOBCFHVXAAIOE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80658200) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80658200
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(C)C2CCCC2)n1
InChIInChI=1S/C14H24N4/c1-4-15-13-9-11(2)16-14(17-13)10-18(3)12-7-5-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyBMOBCFHVXAAIOE-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylcyclohexanamine
CID 80655142
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658060
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 80664231
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyloxan-4-amine
CID 80655656
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657640
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80656846
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
N-ethyl-6-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrimidin-4-amine
CID 80658105
N-ethyl-2-[(4-fluoro-N-methylanilino)methyl]-6-methylpyrimidin-4-amine
CID 80657850
2-[(N,2-dimethylanilino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658321
3-[[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]methyl]cyclobutan-1-ol
CID 80656901

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80658200) is 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN(C)C2CCCC2)n1.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is BMOBCFHVXAAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-15-13-9-11(2)16-14(17-13)10-18(3)12-7-5-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80658200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).