2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

C22H31N5O2 — CID 109325335

IUPAC2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H31N5O2/c1-17(2)27(16-19-7-5-4-6-8-19)22-24-18(3)15-20(25-22)21(28)23-9-10-26-11-13-29-14-12-26/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28)
InChIKeyAYECLCOFEJIXNC-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.26
Rot. Bonds8

About 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109325335) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109325335
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCOCC2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C22H31N5O2/c1-17(2)27(16-19-7-5-4-6-8-19)22-24-18(3)15-20(25-22)21(28)23-9-10-26-11-13-29-14-12-26/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28)
InChIKeyAYECLCOFEJIXNC-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
2-(diethylamino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325331
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 71688945
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
4-N-benzyl-4-N-methyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045869
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325330
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
CID 109016746

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide (CID 109325335) is 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCN2CCOCC2)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is AYECLCOFEJIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17(2)27(16-19-7-5-4-6-8-19)22-24-18(3)15-20(25-22)21(28)23-9-10-26-11-13-29-14-12-26/h4-8,15,17H,9-14,16H2,1-3H3,(H,23,28).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).