N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

C20H30N4O3 — CID 45210201

IUPACN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NC(C)c2cnc(N(C)C3CCCCC3)nc2C)OCCO1
InChIInChI=1S/C20H30N4O3/c1-13(22-19(25)18-15(3)26-10-11-27-18)17-12-21-20(23-14(17)2)24(4)16-8-6-5-7-9-16/h12-13,16H,5-11H2,1-4H3,(H,22,25)
InChIKeyASKOHYNLMDAINT-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.01
Rot. Bonds5

About N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 45210201) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID45210201
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC1=C(C(=O)NC(C)c2cnc(N(C)C3CCCCC3)nc2C)OCCO1
InChIInChI=1S/C20H30N4O3/c1-13(22-19(25)18-15(3)26-10-11-27-18)17-12-21-20(23-14(17)2)24(4)16-8-6-5-7-9-16/h12-13,16H,5-11H2,1-4H3,(H,22,25)
InChIKeyASKOHYNLMDAINT-UHFFFAOYSA-N
XLogP3.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 45210201) is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is CC1=C(C(=O)NC(C)c2cnc(N(C)C3CCCCC3)nc2C)OCCO1.
What is the InChIKey of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ASKOHYNLMDAINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(22-19(25)18-15(3)26-10-11-27-18)17-12-21-20(23-14(17)2)24(4)16-8-6-5-7-9-16/h12-13,16H,5-11H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 45210201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).