2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide

C17H29N5O2 — CID 71688945

IUPAC2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C17H29N5O2/c1-4-22(5-2)17-19-14(3)13-15(20-17)16(23)18-7-6-8-21-9-11-24-12-10-21/h13H,4-12H2,1-3H3,(H,18,23)
InChIKeyRFULLGMQXPXOTL-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.08
Rot. Bonds8

About 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide

2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 71688945) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
PubChem CID71688945
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C)cc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C17H29N5O2/c1-4-22(5-2)17-19-14(3)13-15(20-17)16(23)18-7-6-8-21-9-11-24-12-10-21/h13H,4-12H2,1-3H3,(H,18,23)
InChIKeyRFULLGMQXPXOTL-UHFFFAOYSA-N
XLogP1.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325331
2-(azepan-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 71689433
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325335
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325330
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-(2,3-dihydroindol-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325347
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
4-hydrazinyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 62243174
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide (CID 71688945) is 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide is CCN(CC)c1nc(C)cc(C(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is RFULLGMQXPXOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-22(5-2)17-19-14(3)13-15(20-17)16(23)18-7-6-8-21-9-11-24-12-10-21/h13H,4-12H2,1-3H3,(H,18,23).
What are the key properties of 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide?
2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 71688945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).