2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

C24H36N6O3 — CID 143450222

IUPAC2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2ccc(NC)cc2)n1
InChIInChI=1S/C24H36N6O3/c1-4-10-30(11-5-2)24-27-21(23(31)26-20-8-6-19(25-3)7-9-20)18-22(28-24)33-17-14-29-12-15-32-16-13-29/h6-9,18,25H,4-5,10-17H2,1-3H3,(H,26,31)
InChIKeyZROHJRTXYOZLEN-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.11
Rot. Bonds12

About 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide

2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (PubChem CID 143450222) has the molecular formula C24H36N6O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
PubChem CID143450222
Molecular FormulaC24H36N6O3
Molecular Weight456.59 g/mol
Exact Mass456.28
IUPAC Name2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2ccc(NC)cc2)n1
InChIInChI=1S/C24H36N6O3/c1-4-10-30(11-5-2)24-27-21(23(31)26-20-8-6-19(25-3)7-9-20)18-22(28-24)33-17-14-29-12-15-32-16-13-29/h6-9,18,25H,4-5,10-17H2,1-3H3,(H,26,31)
InChIKeyZROHJRTXYOZLEN-UHFFFAOYSA-N
XLogP3.11
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-N-(3-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 143341027
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746
N-(3-chlorophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258759
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-(2-acetamidophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11634188
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
N-[3-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 87482089
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide (CID 143450222) is 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is CCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2ccc(NC)cc2)n1.
What is the InChIKey of 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
The InChIKey is ZROHJRTXYOZLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3/c1-4-10-30(11-5-2)24-27-21(23(31)26-20-8-6-19(25-3)7-9-20)18-22(28-24)33-17-14-29-12-15-32-16-13-29/h6-9,18,25H,4-5,10-17H2,1-3H3,(H,26,31).
What are the key properties of 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide?
2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[4-(methylamino)phenyl]-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 143450222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).