4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine

C17H28N4O — CID 56869819

IUPAC4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C17H28N4O/c1-13-11-15(14-5-4-6-14)20-16(19-13)18-12-17(2,3)21-7-9-22-10-8-21/h11,14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyYLIANSHGEKLUHQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.58
Rot. Bonds5

About 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine

4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 56869819) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID56869819
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C17H28N4O/c1-13-11-15(14-5-4-6-14)20-16(19-13)18-12-17(2,3)21-7-9-22-10-8-21/h11,14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyYLIANSHGEKLUHQ-UHFFFAOYSA-N
XLogP2.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4aR,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 66740470
4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 66741667
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 1646798
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 56870813
4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine
CID 56879801
6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
rel-(3R,4S)-4-cyclopropyl-1-[6-ethyl-2-(4-morpholinyl)-4-pyrimidinyl]-3-pyrrolidinamine dihydrochloride
CID 72873173
4,6-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 75423985
5-chloro-N~4~-{trans-3-[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]cyclobutyl}-6-methylpyrimidine-2,4-diamine
CID 91762075
N-(4,6-Dimethyl-2-pyrimidinyl)-N'-[2-(4-morpholinyl)ethyl]guanidine
CID 3145920

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 56869819) is 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine is Cc1cc(C2CCC2)nc(NCC(C)(C)N2CCOCC2)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is YLIANSHGEKLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-11-15(14-5-4-6-14)20-16(19-13)18-12-17(2,3)21-7-9-22-10-8-21/h11,14H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine?
4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 56869819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).