2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide

C21H30N4O2 — CID 54854046

IUPAC2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C
InChIInChI=1S/C21H30N4O2/c1-6-25(7-2)20(26)18-15(5)23-21(22)24-19(18)16-10-8-9-11-17(16)27-13-12-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H2,22,23,24)
InChIKeyZXVYOTCHGSGKDQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.94
Rot. Bonds8

About 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide

2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide (PubChem CID 54854046) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
PubChem CID54854046
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C
InChIInChI=1S/C21H30N4O2/c1-6-25(7-2)20(26)18-15(5)23-21(22)24-19(18)16-10-8-9-11-17(16)27-13-12-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H2,22,23,24)
InChIKeyZXVYOTCHGSGKDQ-UHFFFAOYSA-N
XLogP3.94
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-4-(4-tert-butylphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853967
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide (CID 54854046) is 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1c(C)nc(N)nc1-c1ccccc1OCCC(C)C.
What is the InChIKey of 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
The InChIKey is ZXVYOTCHGSGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-6-25(7-2)20(26)18-15(5)23-21(22)24-19(18)16-10-8-9-11-17(16)27-13-12-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H2,22,23,24).
What are the key properties of 2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide?
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.94, 8 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-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54854046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).