5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136975696

IUPAC5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2CCCOC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)14)13-6-2-1-3-15-4-6/h5-6H,1-4,10H2,(H2,11,12,13,14)
InChIKeyIGPPLGINVJGWHR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.06
Rot. Bonds2

About 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one

5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136975696) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136975696
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2CCCOC2)nc[nH]c1=O
InChIInChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)14)13-6-2-1-3-15-4-6/h5-6H,1-4,10H2,(H2,11,12,13,14)
InChIKeyIGPPLGINVJGWHR-UHFFFAOYSA-N
XLogP-0.06
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,5a,6,7,8,9a,10-Octahydropyrano[3,2-g]pteridin-4-one;hydrate
CID 141303739
3,5,5a,6,7,8,9a,10-Octahydropyrano[3,2-g]pteridin-4-one
CID 141303740
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
5-amino-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 135575729
5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706918
5-amino-4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805760
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one (CID 136975696) is 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one is Nc1c(NC2CCCOC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is IGPPLGINVJGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-7-8(11-5-12-9(7)14)13-6-2-1-3-15-4-6/h5-6H,1-4,10H2,(H2,11,12,13,14).
What are the key properties of 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).