4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one

C12H21N3O — CID 136768848

IUPAC4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C)(C)CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-5-9-14-10(7-11(16)15-9)13-8-12(3,4)6-2/h7H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyTXCBGOPMVAUZKA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.18
Rot. Bonds5

About 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one

4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136768848) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
PubChem CID136768848
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC(C)(C)CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-5-9-14-10(7-11(16)15-9)13-8-12(3,4)6-2/h7H,5-6,8H2,1-4H3,(H2,13,14,15,16)
InChIKeyTXCBGOPMVAUZKA-UHFFFAOYSA-N
XLogP2.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-[(2-methyl-2-phenylpropyl)amino]-1H-pyrimidin-6-one
CID 136974308
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanamide
CID 136974611
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(1H-imidazol-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975975
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one (CID 136768848) is 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCC(C)(C)CC)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is TXCBGOPMVAUZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-9-14-10(7-11(16)15-9)13-8-12(3,4)6-2/h7H,5-6,8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one?
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136768848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).