4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

C15H25N3O2 — CID 136773872

IUPAC4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNC(C)(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-14(2,3)16-10-11-9-12(19)18-13(17-11)15(20-4)7-5-6-8-15/h9,16H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyJZNOEIASOWSAKQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.07
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773872) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773872
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNC(C)(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-14(2,3)16-10-11-9-12(19)18-13(17-11)15(20-4)7-5-6-8-15/h9,16H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyJZNOEIASOWSAKQ-UHFFFAOYSA-N
XLogP2.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopentyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095487
4-[(2-methoxyethylamino)methyl]-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136249997
2-(3-ethylcyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136252057
4-[(tert-butylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274202
2-(2-methoxypropan-2-yl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136279384
4-(ethylaminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279386
2-(2-methoxypropan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136279387
4-[(tert-butylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279394
4-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288564
4-(methylaminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288565
4-(ethylaminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136288566
2-(2-methyloxan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136288568

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773872) is 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(CNC(C)(C)C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is JZNOEIASOWSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2,3)16-10-11-9-12(19)18-13(17-11)15(20-4)7-5-6-8-15/h9,16H,5-8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).