2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide

C21H30N4O2 — CID 54854084

IUPAC2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H30N4O2/c1-7-25(8-2)19(26)18-14(3)23-20(22)24-17(18)13-27-16-11-9-15(10-12-16)21(4,5)6/h9-12H,7-8,13H2,1-6H3,(H2,22,23,24)
InChIKeyMINGIUHBWIHRLR-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.73
Rot. Bonds6

About 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide

2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide (PubChem CID 54854084) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
PubChem CID54854084
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H30N4O2/c1-7-25(8-2)19(26)18-14(3)23-20(22)24-17(18)13-27-16-11-9-15(10-12-16)21(4,5)6/h9-12H,7-8,13H2,1-6H3,(H2,22,23,24)
InChIKeyMINGIUHBWIHRLR-UHFFFAOYSA-N
XLogP3.73
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853778
2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853967
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-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
CID 54853965
2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54851170
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide (CID 54854084) is 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1c(C)nc(N)nc1COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
The InChIKey is MINGIUHBWIHRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-7-25(8-2)19(26)18-14(3)23-20(22)24-17(18)13-27-16-11-9-15(10-12-16)21(4,5)6/h9-12H,7-8,13H2,1-6H3,(H2,22,23,24).
What are the key properties of 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide?
2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-tert-butylphenoxy)methyl]-N,N-diethyl-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54854084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).