N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide

C14H20N4O2 — CID 122322584

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCC(=O)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-18(2)13-7-8-15-12(17-13)9-16-14(20)10-3-5-11(19)6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyGRIJRGRCMRNNDQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.92
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 122322584) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
PubChem CID122322584
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)C2CCC(=O)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-18(2)13-7-8-15-12(17-13)9-16-14(20)10-3-5-11(19)6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyGRIJRGRCMRNNDQ-UHFFFAOYSA-N
XLogP0.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 121137212
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322511
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322510
3-cyclohexyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]propanamide
CID 121137204
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
CID 122322467
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 122254077
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide (CID 122322584) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide is CN(C)c1ccnc(CNC(=O)C2CCC(=O)CC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is GRIJRGRCMRNNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(2)13-7-8-15-12(17-13)9-16-14(20)10-3-5-11(19)6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,16,20).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 122322584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).