2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide

C21H29N5O2 — CID 109264608

IUPAC2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H29N5O2/c1-3-9-26(10-4-2)20(27)17-15-22-21(23-16-17)24-18-7-5-6-8-19(18)25-11-13-28-14-12-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24)
InChIKeyNDGGWSHMOQFOCC-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.32
Rot. Bonds8

About 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide

2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide (PubChem CID 109264608) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
PubChem CID109264608
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H29N5O2/c1-3-9-26(10-4-2)20(27)17-15-22-21(23-16-17)24-18-7-5-6-8-19(18)25-11-13-28-14-12-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24)
InChIKeyNDGGWSHMOQFOCC-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109161578
2-[acetyl(propyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113158058
N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109152097
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109180774
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide (CID 109264608) is 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide is CCCN(CCC)C(=O)c1cnc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?
The InChIKey is NDGGWSHMOQFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-9-26(10-4-2)20(27)17-15-22-21(23-16-17)24-18-7-5-6-8-19(18)25-11-13-28-14-12-25/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide?
2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide is sourced from PubChem (CID 109264608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).