4-(tert-butylamino)-1-methylpyrimidin-2-one

C9H15N3O — CID 580782

IUPAC4-(tert-butylamino)-1-methylpyrimidin-2-one
SMILESCn1ccc(NC(C)(C)C)nc1=O
InChIInChI=1S/C9H15N3O/c1-9(2,3)11-7-5-6-12(4)8(13)10-7/h5-6H,1-4H3,(H,10,11,13)
InChIKeyYSDPZYNYHNEVJH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.99
Rot. Bonds1

About 4-(tert-butylamino)-1-methylpyrimidin-2-one

4-(tert-butylamino)-1-methylpyrimidin-2-one (PubChem CID 580782) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(tert-butylamino)-1-methylpyrimidin-2-one
PubChem CID580782
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(tert-butylamino)-1-methylpyrimidin-2-one
SMILESCn1ccc(NC(C)(C)C)nc1=O
InChIInChI=1S/C9H15N3O/c1-9(2,3)11-7-5-6-12(4)8(13)10-7/h5-6H,1-4H3,(H,10,11,13)
InChIKeyYSDPZYNYHNEVJH-UHFFFAOYSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2(1H)-Pyrimidinone, 4-amino-1,N-dimethyl-
CID 138689
1-Methyl-4-n-butylaminocytosine
CID 580715
1-Methyl-4-ethylaminocytosine
CID 592737
1-Methyl-4-allylaminocytosine
CID 596792
N-(1-ethenyl-2-oxopyrimidin-4-yl)acetamide
CID 85772806
1-Methyl-4-n-propylaminocytosine
CID 580548
1-Methyl-4-diethylaminocytosine
CID 592552
N-(1-Ethyl-2-oxo-1,2-dihydro-4-pyrimidinyl)acetamide
CID 45119271
4-Amino-1,1-dimethylpyrimidin-1-ium-2-one
CID 23333307
1-Tert-butyl-4-(tert-butylamino)pyrimidin-2-one
CID 59713864
4-Amino-1-tert-butylpyrimidin-2-one
CID 59814982
1-Ethyl-4-(ethylamino)pyrimidin-2-one
CID 89389902

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-methylpyrimidin-2-one?
The IUPAC name of 4-(tert-butylamino)-1-methylpyrimidin-2-one (CID 580782) is 4-(tert-butylamino)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(tert-butylamino)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(tert-butylamino)-1-methylpyrimidin-2-one is Cn1ccc(NC(C)(C)C)nc1=O.
What is the InChIKey of 4-(tert-butylamino)-1-methylpyrimidin-2-one?
The InChIKey is YSDPZYNYHNEVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)11-7-5-6-12(4)8(13)10-7/h5-6H,1-4H3,(H,10,11,13).
What are the key properties of 4-(tert-butylamino)-1-methylpyrimidin-2-one?
4-(tert-butylamino)-1-methylpyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-methylpyrimidin-2-one is sourced from PubChem (CID 580782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).