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

C10H14ClN3O2 — CID 136970845

IUPAC5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCOCC1
InChIInChI=1S/C10H14ClN3O2/c1-14(7-2-4-16-5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyFBVACAZSEZQUIC-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.04
Rot. Bonds2

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

5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136970845) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136970845
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCOCC1
InChIInChI=1S/C10H14ClN3O2/c1-14(7-2-4-16-5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyFBVACAZSEZQUIC-UHFFFAOYSA-N
XLogP1.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136380252
5-chloro-2-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 166163550
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 113604352
5,6-Dichloro-3-(oxan-4-yl)pyrimidin-4-one
CID 114583116
5-chloro-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738997
5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857179
5-chloro-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970786
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970788
5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970808
5-bromo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136970846
5-iodo-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136970847
5-chloro-4-(3-ethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970848

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one (CID 136970845) is 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Cl)C1CCOCC1.
What is the InChIKey of 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FBVACAZSEZQUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-14(7-2-4-16-5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[methyl(oxan-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).