2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide

C20H28N4O2 — CID 54853778

IUPAC2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H28N4O2/c1-6-24(7-2)19(25)18-14(5)22-20(21)23-17(18)12-26-16-10-8-15(9-11-16)13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H2,21,22,23)
InChIKeyQLNYGFMRHQOFSX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.55
Rot. Bonds7

About 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide

2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide (PubChem CID 54853778) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
PubChem CID54853778
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H28N4O2/c1-6-24(7-2)19(25)18-14(5)22-20(21)23-17(18)12-26-16-10-8-15(9-11-16)13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H2,21,22,23)
InChIKeyQLNYGFMRHQOFSX-UHFFFAOYSA-N
XLogP3.55
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54854084
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-N,N-diethyl-4-methyl-6-propylpyrimidine-5-carboxamide
CID 54853672
2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
CID 54853965
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-amino-N,N-diethyl-4-methyl-6-[1-(4-nitrophenoxy)ethyl]pyrimidine-5-carboxamide
CID 54853639
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
N-ethyl-N-methyl-2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835464
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide (CID 54853778) is 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1c(C)nc(N)nc1COc1ccc(C(C)C)cc1.
What is the InChIKey of 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide?
The InChIKey is QLNYGFMRHQOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-24(7-2)19(25)18-14(5)22-20(21)23-17(18)12-26-16-10-8-15(9-11-16)13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H2,21,22,23).
What are the key properties of 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide?
2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).