4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine

C20H27N5O — CID 56875402

IUPAC4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCC(c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C20H27N5O/c1-15-12-18(16-4-2-5-16)24-20(23-15)22-14-19(17-6-3-7-21-13-17)25-8-10-26-11-9-25/h3,6-7,12-13,16,19H,2,4-5,8-11,14H2,1H3,(H,22,23,24)
InChIKeyRPIYUDVBYDKIFW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.93
Rot. Bonds6

About 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine

4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 56875402) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID56875402
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCC(c2cccnc2)N2CCOCC2)n1
InChIInChI=1S/C20H27N5O/c1-15-12-18(16-4-2-5-16)24-20(23-15)22-14-19(17-6-3-7-21-13-17)25-8-10-26-11-9-25/h3,6-7,12-13,16,19H,2,4-5,8-11,14H2,1H3,(H,22,23,24)
InChIKeyRPIYUDVBYDKIFW-UHFFFAOYSA-N
XLogP2.93
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
2-methyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-6-propan-2-ylpyrimidin-4-amine
CID 95129137
6-(1-methylimidazol-2-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]pyridazin-3-amine
CID 95486508
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)oxan-4-amine
CID 131944543
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
5-cyclopropyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95227280
4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72929752
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
5-methyl-4-(2-methylpyrazol-3-yl)-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]pyrimidin-2-amine
CID 29153886

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine (CID 56875402) is 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine is Cc1cc(C2CCC2)nc(NCC(c2cccnc2)N2CCOCC2)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is RPIYUDVBYDKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-12-18(16-4-2-5-16)24-20(23-15)22-14-19(17-6-3-7-21-13-17)25-8-10-26-11-9-25/h3,6-7,12-13,16,19H,2,4-5,8-11,14H2,1H3,(H,22,23,24).
What are the key properties of 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine?
4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 56875402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).