1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine

C26H45N5O — CID 155740958

IUPAC1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC(C)C(=O)C1CCC1.CCC1CC(Nc2ncc(C3CCN(C)CC3)cn2)CN(C)C1
InChIInChI=1S/C18H31N5.C8H14O/c1-4-14-9-17(13-23(3)12-14)21-18-19-10-16(11-20-18)15-5-7-22(2)8-6-15;1-6(2)8(9)7-4-3-5-7/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,19,20,21);6-7H,3-5H2,1-2H3
InChIKeyZFONIHXAJJXGJK-UHFFFAOYSA-N
MW443.68 g/mol
LogP4.44
Rot. Bonds6

About 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine

1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 155740958) has the molecular formula C26H45N5O and a molecular weight of 443.68 g/mol. Its IUPAC name is 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID155740958
Molecular FormulaC26H45N5O
Molecular Weight443.68 g/mol
Exact Mass443.36
IUPAC Name1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCC(C)C(=O)C1CCC1.CCC1CC(Nc2ncc(C3CCN(C)CC3)cn2)CN(C)C1
InChIInChI=1S/C18H31N5.C8H14O/c1-4-14-9-17(13-23(3)12-14)21-18-19-10-16(11-20-18)15-5-7-22(2)8-6-15;1-6(2)8(9)7-4-3-5-7/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,19,20,21);6-7H,3-5H2,1-2H3
InChIKeyZFONIHXAJJXGJK-UHFFFAOYSA-N
XLogP4.44
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.68
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylpiperidin-4-yl)-N-(5-methyl-1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
CID 155740022
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
3-[(5-cyclobutylpyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 116975340
2-[[5-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]amino]cyclopropane-1-carboxylic acid
CID 116975328
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974501
3-[[5-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]pyrimidin-2-yl]amino]piperidine-2,6-dione
CID 166472189
N-cyclohexyl-5-ethyl-1-methylpiperidin-3-amine
CID 83998971
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
8-[5-(1-ethylpiperidin-4-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methyl-1-spiro[3.3]heptan-2-ylpropan-1-one
CID 155740257

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine (CID 155740958) is 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine is CC(C)C(=O)C1CCC1.CCC1CC(Nc2ncc(C3CCN(C)CC3)cn2)CN(C)C1.
What is the InChIKey of 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is ZFONIHXAJJXGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5.C8H14O/c1-4-14-9-17(13-23(3)12-14)21-18-19-10-16(11-20-18)15-5-7-22(2)8-6-15;1-6(2)8(9)7-4-3-5-7/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,19,20,21);6-7H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 443.68 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methylpropan-1-one;N-(5-ethyl-1-methylpiperidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155740958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).