N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C20H27N5O3 — CID 109301644

IUPACN-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C20H27N5O3/c1-15(2)28-17-5-3-16(4-6-17)23-20-22-8-7-18(24-20)19(26)21-9-10-25-11-13-27-14-12-25/h3-8,15H,9-14H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyRPQMNKJJNJYTGB-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.07
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109301644) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109301644
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(Nc2nccc(C(=O)NCCN3CCOCC3)n2)cc1
InChIInChI=1S/C20H27N5O3/c1-15(2)28-17-5-3-16(4-6-17)23-20-22-8-7-18(24-20)19(26)21-9-10-25-11-13-27-14-12-25/h3-8,15H,9-14H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyRPQMNKJJNJYTGB-UHFFFAOYSA-N
XLogP2.07
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311907
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
2-(2-methyl-6-propan-2-ylanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301621
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
N-(2-morpholin-4-ylethyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109301556
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990
2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325380
2-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301626
(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109302309
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109301644) is N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is CC(C)Oc1ccc(Nc2nccc(C(=O)NCCN3CCOCC3)n2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is RPQMNKJJNJYTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15(2)28-17-5-3-16(4-6-17)23-20-22-8-7-18(24-20)19(26)21-9-10-25-11-13-27-14-12-25/h3-8,15H,9-14H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).