5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C10H15ClN4O — CID 136778294

IUPAC5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2Cl)CCN1
InChIInChI=1S/C10H15ClN4O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyJTBTXQKVYNEUFQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.98
Rot. Bonds2

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

5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778294) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778294
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2Cl)CCN1
InChIInChI=1S/C10H15ClN4O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyJTBTXQKVYNEUFQ-UHFFFAOYSA-N
XLogP0.98
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731496
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778293
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778298
4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 136792796
5-chloro-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805287
5-chloro-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805297

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778294) is 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1CC(Nc2nc[nH]c(=O)c2Cl)CCN1.
What is the InChIKey of 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is JTBTXQKVYNEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).