N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

C23H33N5O2 — CID 117082752

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(C)nc(N3CCC(N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C23H33N5O2/c1-18-17-22(24-10-7-19-3-5-21(29-2)6-4-19)26-23(25-18)28-11-8-20(9-12-28)27-13-15-30-16-14-27/h3-6,17,20H,7-16H2,1-2H3,(H,24,25,26)
InChIKeyLRDZCEYCEJENSQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine

N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 117082752) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID117082752
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(C)nc(N3CCC(N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C23H33N5O2/c1-18-17-22(24-10-7-19-3-5-21(29-2)6-4-19)26-23(25-18)28-11-8-20(9-12-28)27-13-15-30-16-14-27/h3-6,17,20H,7-16H2,1-2H3,(H,24,25,26)
InChIKeyLRDZCEYCEJENSQ-UHFFFAOYSA-N
XLogP2.75
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine (CID 117082752) is N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is COc1ccc(CCNc2cc(C)nc(N3CCC(N4CCOCC4)CC3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is LRDZCEYCEJENSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-18-17-22(24-10-7-19-3-5-21(29-2)6-4-19)26-23(25-18)28-11-8-20(9-12-28)27-13-15-30-16-14-27/h3-6,17,20H,7-16H2,1-2H3,(H,24,25,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 117082752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).