N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide

C13H17Cl2N3O — CID 58201006

IUPACN-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1Cc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H17Cl2N3O/c1-8(19)17-11-5-3-2-4-9(11)6-12-10(14)7-16-13(15)18-12/h7,9,11H,2-6H2,1H3,(H,17,19)/t9-,11+/m0/s1
InChIKeyOSRRMNXTLWTVGN-GXSJLCMTSA-N
MW302.20 g/mol
LogP3.02
Rot. Bonds3

About N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide

N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide (PubChem CID 58201006) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide
PubChem CID58201006
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCCC[C@H]1Cc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H17Cl2N3O/c1-8(19)17-11-5-3-2-4-9(11)6-12-10(14)7-16-13(15)18-12/h7,9,11H,2-6H2,1H3,(H,17,19)/t9-,11+/m0/s1
InChIKeyOSRRMNXTLWTVGN-GXSJLCMTSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]propanamide
CID 45227832
trans-N-(4-((5-chloro-4-(1-(cyclopropanecarbonyl)piperidin-3-yl)pyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172591591
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide
CID 12973046
N-[7-[(5-chloro-6-ethylpyrimidin-4-yl)amino]nonyl]acetamide
CID 15016218
cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 58200957
Tert-butyl 4-(2,5-dichloropyrimidin-4-yl)piperidine-1-carboxylate
CID 89304475
1-[1-[5-Chloro-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]ethyl]cyclopropane-1-carboxamide
CID 90039513
N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide
CID 90446607
2,5-Dichloro-4-hexan-2-ylpyrimidine
CID 91259461
N-[4-(2-chloropyrimidin-4-yl)-3-methylidenecyclohexyl]acetamide
CID 91591237
(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide
CID 144572132
2-[6-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclohexa-1,5-dien-1-yl]propanamide
CID 144572145

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide (CID 58201006) is N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide is CC(=O)N[C@@H]1CCCC[C@H]1Cc1nc(Cl)ncc1Cl.
What is the InChIKey of N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide?
The InChIKey is OSRRMNXTLWTVGN-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-8(19)17-11-5-3-2-4-9(11)6-12-10(14)7-16-13(15)18-12/h7,9,11H,2-6H2,1H3,(H,17,19)/t9-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide?
N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide has a molecular weight of 302.20 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 58201006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).