4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C19H26N6O2 — CID 50944540

IUPAC4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N6O2/c1-4-20-17-13-18(22-14(2)21-17)24-9-11-25(12-10-24)19(26)23-15-5-7-16(27-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,23,26)(H,20,21,22)
InChIKeyNZIOEYWAPYMANH-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.58
Rot. Bonds5

About 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 50944540) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID50944540
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N6O2/c1-4-20-17-13-18(22-14(2)21-17)24-9-11-25(12-10-24)19(26)23-15-5-7-16(27-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,23,26)(H,20,21,22)
InChIKeyNZIOEYWAPYMANH-UHFFFAOYSA-N
XLogP2.58
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122351650
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 56700336
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
cyclopropyl-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351619
1-(4-methoxyphenyl)-3-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 50944516
N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 30938906
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122351707
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122351757
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
N-(4-methoxyphenyl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazine-1-carbothioamide
CID 5302543
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 50944540) is 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3)CC2)nc(C)n1.
What is the InChIKey of 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NZIOEYWAPYMANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-20-17-13-18(22-14(2)21-17)24-9-11-25(12-10-24)19(26)23-15-5-7-16(27-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,23,26)(H,20,21,22).
What are the key properties of 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 50944540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).