5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one

C10H16N4O2 — CID 136976363

IUPAC5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CCCO1
InChIInChI=1S/C10H16N4O2/c1-10(3-2-4-16-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyNQTQSIFGLRPTSO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.33
Rot. Bonds3

About 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976363) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976363
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2N)CCCO1
InChIInChI=1S/C10H16N4O2/c1-10(3-2-4-16-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyNQTQSIFGLRPTSO-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

N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110045135
5-amino-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 135709704
5-amino-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696645
5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786680
5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870666
5-amino-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954505
5-iodo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956987
5-bromo-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956989
4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956990
5-amino-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973989
5-amino-4-[(2-methoxycyclopentyl)amino]-1H-pyrimidin-6-one
CID 136975246
5-chloro-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976365

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136976363) is 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2N)CCCO1.
What is the InChIKey of 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NQTQSIFGLRPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(3-2-4-16-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(2-methyloxolan-2-yl)methylamino]-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-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).