4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C10H16N4O — CID 136778298

IUPAC4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2cc(=O)[nH]cn2)CCN1
InChIInChI=1S/C10H16N4O/c1-7-4-8(2-3-11-7)14-9-5-10(15)13-6-12-9/h5-8,11H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyHPWFIHCVXXIJJX-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.32
Rot. Bonds2

About 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778298) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778298
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2cc(=O)[nH]cn2)CCN1
InChIInChI=1S/C10H16N4O/c1-7-4-8(2-3-11-7)14-9-5-10(15)13-6-12-9/h5-8,11H,2-4H2,1H3,(H2,12,13,14,15)
InChIKeyHPWFIHCVXXIJJX-UHFFFAOYSA-N
XLogP0.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-[Methyl(piperidin-4-yl)amino]pyrimidin-4-ol
CID 14601273
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
2-(piperidin-4-ylamino)-1H-pyrimidin-6-one
CID 58972433
2-(4-Aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one
CID 123183196
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778298) is 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1CC(Nc2cc(=O)[nH]cn2)CCN1.
What is the InChIKey of 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is HPWFIHCVXXIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-4-8(2-3-11-7)14-9-5-10(15)13-6-12-9/h5-8,11H,2-4H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).