(1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

C22H28N4O2 — CID 95894600

IUPAC(1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc([C@@]2(C(=O)NCc3cc(N4CCOCC4)ncn3)CC2(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-16-4-6-17(7-5-16)22(14-21(22,2)3)20(27)23-13-18-12-19(25-15-24-18)26-8-10-28-11-9-26/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyCPKNWWWAZGHAGD-JOCHJYFZSA-N
MW380.49 g/mol
LogP2.61
Rot. Bonds5

About (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

(1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 95894600) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID95894600
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc([C@@]2(C(=O)NCc3cc(N4CCOCC4)ncn3)CC2(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-16-4-6-17(7-5-16)22(14-21(22,2)3)20(27)23-13-18-12-19(25-15-24-18)26-8-10-28-11-9-26/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyCPKNWWWAZGHAGD-JOCHJYFZSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 95894600) is (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is Cc1ccc([C@@]2(C(=O)NCc3cc(N4CCOCC4)ncn3)CC2(C)C)cc1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CPKNWWWAZGHAGD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-4-6-17(7-5-16)22(14-21(22,2)3)20(27)23-13-18-12-19(25-15-24-18)26-8-10-28-11-9-26/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
(1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(4-methylphenyl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95894600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).