5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one

C10H16N4O2 — CID 136975034

IUPAC5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCCCO2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-5-7-3-1-2-4-16-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeyAAZFDPNJQLUZMS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.33
Rot. Bonds3

About 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one

5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136975034) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136975034
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCCCO2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-5-7-3-1-2-4-16-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeyAAZFDPNJQLUZMS-UHFFFAOYSA-N
XLogP0.33
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,8-diamino-9-(oxan-2-ylmethyl)-7,8-dihydro-1H-purin-6-one;hydrochloride
CID 174294445
2,8-diamino-9-(oxan-2-ylmethyl)-7,8-dihydro-1H-purin-6-one
CID 174294446
2,8-diamino-9-(oxan-2-ylmethyl)-7,8-dihydro-1H-purin-6-one;dihydrochloride
CID 174302989
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
5-amino-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586422
5-amino-4-(2-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586603
5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702381
5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754604
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175
5-iodo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956335
4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956338

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one (CID 136975034) is 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one is Nc1c(NCC2CCCCO2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is AAZFDPNJQLUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-5-7-3-1-2-4-16-7/h6-7H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one?
5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).