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

C10H15ClN4O — CID 136972891

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESNCC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H15ClN4O/c11-8-9(13-6-14-10(8)16)15-3-1-7(5-12)2-4-15/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyNBBRKMDOBNBUSH-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.60
Rot. Bonds2

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

4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136972891) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136972891
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
SMILESNCC1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H15ClN4O/c11-8-9(13-6-14-10(8)16)15-3-1-7(5-12)2-4-15/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyNBBRKMDOBNBUSH-UHFFFAOYSA-N
XLogP0.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.60
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-(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-chloro-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749172
4-(3-bromo-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136749173
5-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136772455

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one (CID 136972891) is 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is NCC1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is NBBRKMDOBNBUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-9(13-6-14-10(8)16)15-3-1-7(5-12)2-4-15/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one?
4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136972891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).