2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

C17H29N5O — CID 109253363

IUPAC2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C17H29N5O/c1-22(2)11-7-10-18-16(23)14-12-19-17(20-13-14)21-15-8-5-3-4-6-9-15/h12-13,15H,3-11H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeySFYGEPACQYWMST-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds7

About 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (PubChem CID 109253363) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
PubChem CID109253363
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C17H29N5O/c1-22(2)11-7-10-18-16(23)14-12-19-17(20-13-14)21-15-8-5-3-4-6-9-15/h12-13,15H,3-11H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeySFYGEPACQYWMST-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109322624
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-butyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 20972697
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109250532
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251062

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (CID 109253363) is 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is CN(C)CCCNC(=O)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The InChIKey is SFYGEPACQYWMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-22(2)11-7-10-18-16(23)14-12-19-17(20-13-14)21-15-8-5-3-4-6-9-15/h12-13,15H,3-11H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).