N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

C14H24N4O2 — CID 109323908

IUPACN,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(NCCCOC)n1
InChIInChI=1S/C14H24N4O2/c1-5-18(6-2)13(19)12-10-11(3)16-14(17-12)15-8-7-9-20-4/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyZTHDDRSYIGPKBW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.72
Rot. Bonds8

About N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323908) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323908
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc(NCCCOC)n1
InChIInChI=1S/C14H24N4O2/c1-5-18(6-2)13(19)12-10-11(3)16-14(17-12)15-8-7-9-20-4/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyZTHDDRSYIGPKBW-UHFFFAOYSA-N
XLogP1.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320864
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323895
2-[4-(2-methoxyethoxy)butylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554351
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995
N,N-diethyl-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364679
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (CID 109323908) is N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc(NCCCOC)n1.
What is the InChIKey of N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZTHDDRSYIGPKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-18(6-2)13(19)12-10-11(3)16-14(17-12)15-8-7-9-20-4/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).