2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide

C20H27N5O — CID 131946106

IUPAC2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)nc(N)n1
InChIInChI=1S/C20H27N5O/c1-14(2)16-13-17(24-20(21)23-16)19(26)22-10-6-12-25-11-5-8-15-7-3-4-9-18(15)25/h3-4,7,9,13-14H,5-6,8,10-12H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyPLCTXBJPKSZADW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.75
Rot. Bonds6

About 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide

2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 131946106) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID131946106
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)nc(N)n1
InChIInChI=1S/C20H27N5O/c1-14(2)16-13-17(24-20(21)23-16)19(26)22-10-6-12-25-11-5-8-15-7-3-4-9-18(15)25/h3-4,7,9,13-14H,5-6,8,10-12H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyPLCTXBJPKSZADW-UHFFFAOYSA-N
XLogP2.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.75
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-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46963655
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155939061
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131925868
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 47381708
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963658
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide (CID 131946106) is 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCCCN2CCCc3ccccc32)nc(N)n1.
What is the InChIKey of 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is PLCTXBJPKSZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14(2)16-13-17(24-20(21)23-16)19(26)22-10-6-12-25-11-5-8-15-7-3-4-9-18(15)25/h3-4,7,9,13-14H,5-6,8,10-12H2,1-2H3,(H,22,26)(H2,21,23,24).
What are the key properties of 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide?
2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 131946106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).