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

C11H19N5O — CID 136948246

IUPAC5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2N)C(CN)C1
InChIInChI=1S/C11H19N5O/c1-7-2-3-16(8(4-7)5-12)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17)
InChIKeyLEDUJGGTROZCDT-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.08
Rot. Bonds2

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

5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136948246) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136948246
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2N)C(CN)C1
InChIInChI=1S/C11H19N5O/c1-7-2-3-16(8(4-7)5-12)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17)
InChIKeyLEDUJGGTROZCDT-UHFFFAOYSA-N
XLogP-0.08
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136990019
5-amino-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009794
2-Amino-7,7-dimethyl-6-propyl-3,5,6,8-tetrahydropteridin-4-one
CID 136196935
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 137148918
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one (CID 136948246) is 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2N)C(CN)C1.
What is the InChIKey of 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LEDUJGGTROZCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-2-3-16(8(4-7)5-12)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17).
What are the key properties of 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).