N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide

C13H21N5O2 — CID 66333888

IUPACN-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1cc(OC)nc(C)n1
InChIInChI=1S/C13H21N5O2/c1-4-15-13(19)10-8-14-5-6-18(10)11-7-12(20-3)17-9(2)16-11/h7,10,14H,4-6,8H2,1-3H3,(H,15,19)
InChIKeySDULKMWNRZIPDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.29
Rot. Bonds4

About N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide

N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 66333888) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID66333888
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1cc(OC)nc(C)n1
InChIInChI=1S/C13H21N5O2/c1-4-15-13(19)10-8-14-5-6-18(10)11-7-12(20-3)17-9(2)16-11/h7,10,14H,4-6,8H2,1-3H3,(H,15,19)
InChIKeySDULKMWNRZIPDU-UHFFFAOYSA-N
XLogP-0.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide (CID 66333888) is N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1cc(OC)nc(C)n1.
What is the InChIKey of N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is SDULKMWNRZIPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-15-13(19)10-8-14-5-6-18(10)11-7-12(20-3)17-9(2)16-11/h7,10,14H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide?
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 66333888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).