5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

C14H23ClN4O — CID 137008016

IUPAC5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)CNCC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C14H23ClN4O/c1-10(2)6-16-7-11-4-3-5-19(8-11)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyMMVURUFYYVGKNP-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137008016) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID137008016
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC(C)CNCC1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C14H23ClN4O/c1-10(2)6-16-7-11-4-3-5-19(8-11)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyMMVURUFYYVGKNP-UHFFFAOYSA-N
XLogP1.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 137008016) is 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is CC(C)CNCC1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MMVURUFYYVGKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-10(2)6-16-7-11-4-3-5-19(8-11)13-12(15)14(20)18-9-17-13/h9-11,16H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 298.82 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137008016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).