5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one

C13H21ClN4O — CID 137148245

IUPAC5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC[C@H]2CCCN(C)C2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H21ClN4O/c1-9-16-12(11(14)13(19)17-9)15-6-5-10-4-3-7-18(2)8-10/h10H,3-8H2,1-2H3,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyQNFDWFDOUXALSK-SNVBAGLBSA-N
MW284.79 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one (PubChem CID 137148245) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
PubChem CID137148245
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC[C@H]2CCCN(C)C2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C13H21ClN4O/c1-9-16-12(11(14)13(19)17-9)15-6-5-10-4-3-7-18(2)8-10/h10H,3-8H2,1-2H3,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyQNFDWFDOUXALSK-SNVBAGLBSA-N
XLogP1.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one (CID 137148245) is 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one is Cc1nc(NCC[C@H]2CCCN(C)C2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is QNFDWFDOUXALSK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9-16-12(11(14)13(19)17-9)15-6-5-10-4-3-7-18(2)8-10/h10H,3-8H2,1-2H3,(H2,15,16,17,19)/t10-/m1/s1.
What are the key properties of 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one?
5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 284.79 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137148245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).