4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H22N4O2 — CID 136819582

IUPAC4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(CN)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-15-10(7-11(18)16-12)17-13(8-14)3-5-19-6-4-13/h7,9H,3-6,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKPSZTMLQCCLLTI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.81
Rot. Bonds4

About 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136819582) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136819582
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(CN)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C13H22N4O2/c1-9(2)12-15-10(7-11(18)16-12)17-13(8-14)3-5-19-6-4-13/h7,9H,3-6,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKPSZTMLQCCLLTI-UHFFFAOYSA-N
XLogP0.81
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-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-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
4-(aminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274280
4-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274281
4-(ethylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274282
2-(oxan-4-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274283
2-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274284
4-[(tert-butylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274286
4-[(2-methylpropylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274287
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136819582) is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2(CN)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KPSZTMLQCCLLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)12-15-10(7-11(18)16-12)17-13(8-14)3-5-19-6-4-13/h7,9H,3-6,8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136819582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).