5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one

C9H15N3O — CID 82503857

IUPAC5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-11-5-6(4-10)7(13)12-8/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyXSRPVGCSJDHADP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.53
Rot. Bonds1

About 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one

5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one (PubChem CID 82503857) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one
PubChem CID82503857
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1ncc(CN)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-11-5-6(4-10)7(13)12-8/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyXSRPVGCSJDHADP-UHFFFAOYSA-N
XLogP0.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
2-tert-butyl-5-fluoro-1H-pyrimidin-6-one
CID 89773884
2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
CID 175560433
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
5-(aminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 104189956
5-(aminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 104189962
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one (CID 82503857) is 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one is CC(C)(C)c1ncc(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one?
The InChIKey is XSRPVGCSJDHADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)8-11-5-6(4-10)7(13)12-8/h5H,4,10H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one?
5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 82503857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).