N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

C19H26N4O2 — CID 109321407

IUPACN-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(NCCc2ccccc2OC)n1
InChIInChI=1S/C19H26N4O2/c1-5-13(2)21-18(24)16-12-14(3)22-19(23-16)20-11-10-15-8-6-7-9-17(15)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyWFURIBCIWCMFJA-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.98
Rot. Bonds8

About N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109321407) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109321407
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)nc(NCCc2ccccc2OC)n1
InChIInChI=1S/C19H26N4O2/c1-5-13(2)21-18(24)16-12-14(3)22-19(23-16)20-11-10-15-8-6-7-9-17(15)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyWFURIBCIWCMFJA-UHFFFAOYSA-N
XLogP2.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
4-N-butan-2-yl-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112908886
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323130
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328111
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109321407) is N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(C)nc(NCCc2ccccc2OC)n1.
What is the InChIKey of N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WFURIBCIWCMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-13(2)21-18(24)16-12-14(3)22-19(23-16)20-11-10-15-8-6-7-9-17(15)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,24)(H,20,22,23).
What are the key properties of N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109321407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).