N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide

C16H26N4O2 — CID 71700263

IUPACN-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide
SMILESCCOCc1nc(N(C)C)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-4-22-11-14-13(10-17-16(19-14)20(2)3)15(21)18-12-8-6-5-7-9-12/h10,12H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyAHEKTQUEGZOYDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.14
Rot. Bonds6

About N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide

N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide (PubChem CID 71700263) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide
PubChem CID71700263
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide
SMILESCCOCc1nc(N(C)C)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-4-22-11-14-13(10-17-16(19-14)20(2)3)15(21)18-12-8-6-5-7-9-12/h10,12H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyAHEKTQUEGZOYDV-UHFFFAOYSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 53299094
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
2-(cyclopropylamino)-4-ethoxy-N-[(1R,4S)-4-hydroxycyclooctyl]pyrimidine-5-carboxamide
CID 173027050
N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109263085
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
N-cyclohexyl-2-(diethylamino)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942952
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide (CID 71700263) is N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide is CCOCc1nc(N(C)C)ncc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide?
The InChIKey is AHEKTQUEGZOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-22-11-14-13(10-17-16(19-14)20(2)3)15(21)18-12-8-6-5-7-9-12/h10,12H,4-9,11H2,1-3H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 71700263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).