5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136824104

IUPAC5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1N)C1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-7(8-2-4-17-5-3-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyYWBPVGCBRZXTJI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.58
Rot. Bonds3

About 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one

5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136824104) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136824104
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1N)C1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-7(8-2-4-17-5-3-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyYWBPVGCBRZXTJI-UHFFFAOYSA-N
XLogP0.58
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[[methyl(oxan-4-ylmethyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide
CID 120340079
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
5-chloro-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738997
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764966
5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786680
5-amino-4-[(2-amino-3-ethylpentyl)amino]-1H-pyrimidin-6-one
CID 136817754
4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819503
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136824104) is 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1N)C1CCOCC1.
What is the InChIKey of 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is YWBPVGCBRZXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(8-2-4-17-5-3-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136824104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).