5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one

C11H17N3O — CID 77342699

IUPAC5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one
SMILESCCC(=O)C(Nc1ccncn1)C(C)C
InChIInChI=1S/C11H17N3O/c1-4-9(15)11(8(2)3)14-10-5-6-12-7-13-10/h5-8,11H,4H2,1-3H3,(H,12,13,14)
InChIKeyDATJYPBCIQNATG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.89
Rot. Bonds5

About 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one

5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one (PubChem CID 77342699) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one.

Molecular Properties

Compound Name5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one
PubChem CID77342699
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one
SMILESCCC(=O)C(Nc1ccncn1)C(C)C
InChIInChI=1S/C11H17N3O/c1-4-9(15)11(8(2)3)14-10-5-6-12-7-13-10/h5-8,11H,4H2,1-3H3,(H,12,13,14)
InChIKeyDATJYPBCIQNATG-UHFFFAOYSA-N
XLogP1.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
Pyrimidine, 2-(1,4-dimethylpentyl)amino-
CID 23423533
N-(tert-butyl)-2-{[4-(ethylamino)pyrimidin-2-yl]amino}acetamide
CID 50959033
1-(3-{[4-(Methylamino)pyrimidin-2-YL]amino}propyl)piperidine-4-carboxamide
CID 50979772
N-{[4-(dimethylamino)pyrimidin-2-yl]methyl}-3-methylbutanamide
CID 72718210
2-[(2-Tert-butylpyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 75378105
3-Methyl-2-(pyrimidin-2-ylamino)pentanamide
CID 75432937
4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 164637804
(2S)-2-[cyanomethyl-(2-fluoropyrimidin-4-yl)amino]-4-methylpentanamide
CID 87959613
5,5,5-Trifluoro-3-(pyrimidin-2-ylamino)pentan-2-one
CID 89641281
6,6,6-Trifluoro-4-(pyrimidin-2-ylamino)hexan-3-one
CID 90963891
5-Fluoro-3-(pyrimidin-2-ylamino)pentan-2-one
CID 118376905

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one?
The IUPAC name of 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one (CID 77342699) is 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one.
What is the SMILES notation for 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one?
The canonical SMILES for 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one is CCC(=O)C(Nc1ccncn1)C(C)C.
What is the InChIKey of 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one?
The InChIKey is DATJYPBCIQNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-9(15)11(8(2)3)14-10-5-6-12-7-13-10/h5-8,11H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one?
5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyrimidin-4-ylamino)hexan-3-one is sourced from PubChem (CID 77342699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).