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

C22H28ClN5O2 — CID 150732938

IUPAC2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1Cl)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H28ClN5O2/c1-27(9-8-17-4-2-3-5-18(17)23)22-25-19(21(29)24-15-16-6-7-16)14-20(26-22)28-10-12-30-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,24,29)
InChIKeyJSFGTXYIGFWCCK-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.79
Rot. Bonds8

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

2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 150732938) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID150732938
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1Cl)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H28ClN5O2/c1-27(9-8-17-4-2-3-5-18(17)23)22-25-19(21(29)24-15-16-6-7-16)14-20(26-22)28-10-12-30-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,24,29)
InChIKeyJSFGTXYIGFWCCK-UHFFFAOYSA-N
XLogP2.79
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 150732938) is 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1Cl)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is JSFGTXYIGFWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-27(9-8-17-4-2-3-5-18(17)23)22-25-19(21(29)24-15-16-6-7-16)14-20(26-22)28-10-12-30-13-11-28/h2-5,14,16H,6-13,15H2,1H3,(H,24,29).
What are the key properties of 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl-methylamino]-N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 150732938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).