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

C11H17ClN4O — CID 136978301

IUPAC4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESNCCC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c12-9-10(14-7-15-11(9)17)16-5-2-8(1-4-13)3-6-16/h7-8H,1-6,13H2,(H,14,15,17)
InChIKeyWMYXQFDPDYBGHO-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.99
Rot. Bonds3

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

4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136978301) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136978301
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESNCCC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H17ClN4O/c12-9-10(14-7-15-11(9)17)16-5-2-8(1-4-13)3-6-16/h7-8H,1-6,13H2,(H,14,15,17)
InChIKeyWMYXQFDPDYBGHO-UHFFFAOYSA-N
XLogP0.99
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009786
5-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009791
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
4-[2-(2-aminoethyl)pentylamino]-5-chloro-1H-pyrimidin-6-one
CID 136704106
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742764
5-chloro-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749170
4-(3-bromo-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136749173
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136978301) is 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is NCCC1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is WMYXQFDPDYBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-9-10(14-7-15-11(9)17)16-5-2-8(1-4-13)3-6-16/h7-8H,1-6,13H2,(H,14,15,17).
What are the key properties of 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136978301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).