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

C11H17ClN4O — CID 136948247

IUPAC4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)C(CN)C1
InChIInChI=1S/C11H17ClN4O/c1-7-2-3-16(8(4-7)5-13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17)
InChIKeyDKQPIHUGVHYVPE-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.99
Rot. Bonds2

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

4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136948247) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136948247
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2Cl)C(CN)C1
InChIInChI=1S/C11H17ClN4O/c1-7-2-3-16(8(4-7)5-13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17)
InChIKeyDKQPIHUGVHYVPE-UHFFFAOYSA-N
XLogP0.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136687965
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136948247) is 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2Cl)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is DKQPIHUGVHYVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-2-3-16(8(4-7)5-13)10-9(12)11(17)15-6-14-10/h6-8H,2-5,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136948247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).