4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 135646473

IUPAC4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN(c2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-7-3-2-4-14(6-7)10-12-8(11)5-9(15)13-10/h5,7H,2-4,6H2,1H3,(H3,11,12,13,15)
InChIKeyMJZFRRUTCMKNBI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.59
Rot. Bonds1

About 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135646473) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID135646473
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN(c2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C10H16N4O/c1-7-3-2-4-14(6-7)10-12-8(11)5-9(15)13-10/h5,7H,2-4,6H2,1H3,(H3,11,12,13,15)
InChIKeyMJZFRRUTCMKNBI-UHFFFAOYSA-N
XLogP0.59
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 135646473) is 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCCN(c2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MJZFRRUTCMKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-3-2-4-14(6-7)10-12-8(11)5-9(15)13-10/h5,7H,2-4,6H2,1H3,(H3,11,12,13,15).
What are the key properties of 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135646473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).