N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine

C12H18ClN3O — CID 112639257

IUPACN-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CCC(Cl)CC2)n1
InChIInChI=1S/C12H18ClN3O/c1-2-17-11-7-8-14-12(16-11)15-10-5-3-9(13)4-6-10/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyVONAKOITCXUDLI-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.84
Rot. Bonds4

About N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine

N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine (PubChem CID 112639257) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
PubChem CID112639257
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CCC(Cl)CC2)n1
InChIInChI=1S/C12H18ClN3O/c1-2-17-11-7-8-14-12(16-11)15-10-5-3-9(13)4-6-10/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyVONAKOITCXUDLI-UHFFFAOYSA-N
XLogP2.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
3-[(4-ethoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 112636158
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 170505613
4-methoxy-N-(3-methoxycyclopentyl)pyrimidin-2-amine
CID 103082114
4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine (CID 112639257) is N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC2CCC(Cl)CC2)n1.
What is the InChIKey of N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine?
The InChIKey is VONAKOITCXUDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-17-11-7-8-14-12(16-11)15-10-5-3-9(13)4-6-10/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine?
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).