N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide

C23H31N5O3 — CID 148916671

IUPACN-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O3/c1-27(10-9-18-5-3-4-6-20(18)30-2)23-25-19(22(29)24-16-17-7-8-17)15-21(26-23)28-11-13-31-14-12-28/h3-6,15,17H,7-14,16H2,1-2H3,(H,24,29)
InChIKeyPJRRDANZPHSFJJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.14
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 148916671) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID148916671
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O3/c1-27(10-9-18-5-3-4-6-20(18)30-2)23-25-19(22(29)24-16-17-7-8-17)15-21(26-23)28-11-13-31-14-12-28/h3-6,15,17H,7-14,16H2,1-2H3,(H,24,29)
InChIKeyPJRRDANZPHSFJJ-UHFFFAOYSA-N
XLogP2.14
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 152592615
2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 162645165
N-[2-(2-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276596
N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 147722603
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110626933
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide
CID 151421558
2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 122254842
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325779
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 148916671) is N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide is COc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is PJRRDANZPHSFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-27(10-9-18-5-3-4-6-20(18)30-2)23-25-19(22(29)24-16-17-7-8-17)15-21(26-23)28-11-13-31-14-12-28/h3-6,15,17H,7-14,16H2,1-2H3,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 148916671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).