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

C12H20N4O2 — CID 136819580

IUPAC4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(CN)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-2-9-14-10(7-11(17)15-9)16-12(8-13)3-5-18-6-4-12/h7H,2-6,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyZCAZKKQWRKLRBS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.25
Rot. Bonds4

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

4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136819580) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136819580
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2(CN)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-2-9-14-10(7-11(17)15-9)16-12(8-13)3-5-18-6-4-12/h7H,2-6,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyZCAZKKQWRKLRBS-UHFFFAOYSA-N
XLogP0.25
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
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
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819582

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one (CID 136819580) is 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC2(CN)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZCAZKKQWRKLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-9-14-10(7-11(17)15-9)16-12(8-13)3-5-18-6-4-12/h7H,2-6,8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one?
4-[[4-(aminomethyl)oxan-4-yl]amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.25, 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136819580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).