N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C14H23N5O2 — CID 109364810

IUPACN-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(N2CCN(C)CC2)nc(C)n1
InChIInChI=1S/C14H23N5O2/c1-11-16-12(14(20)15-4-9-21-3)10-13(17-11)19-7-5-18(2)6-8-19/h10H,4-9H2,1-3H3,(H,15,20)
InChIKeyXGQFUZNIMRVUIM-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.09
Rot. Bonds5

About N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109364810) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109364810
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(N2CCN(C)CC2)nc(C)n1
InChIInChI=1S/C14H23N5O2/c1-11-16-12(14(20)15-4-9-21-3)10-13(17-11)19-7-5-18(2)6-8-19/h10H,4-9H2,1-3H3,(H,15,20)
InChIKeyXGQFUZNIMRVUIM-UHFFFAOYSA-N
XLogP-0.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365209
N-(3,4-dimethylphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366926
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
2-methyl-6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366936
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
N-(3,4-dimethoxyphenyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109366965
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109364810) is N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(N2CCN(C)CC2)nc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is XGQFUZNIMRVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11-16-12(14(20)15-4-9-21-3)10-13(17-11)19-7-5-18(2)6-8-19/h10H,4-9H2,1-3H3,(H,15,20).
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).