N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine

C12H20N4O — CID 112639496

IUPACN-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CCCC2N)n1
InChIInChI=1S/C12H20N4O/c1-2-17-11-6-7-14-12(16-11)15-8-9-4-3-5-10(9)13/h6-7,9-10H,2-5,8,13H2,1H3,(H,14,15,16)
InChIKeyYORIWLBJSLCVAR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds5

About N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine

N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine (PubChem CID 112639496) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
PubChem CID112639496
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CCCC2N)n1
InChIInChI=1S/C12H20N4O/c1-2-17-11-6-7-14-12(16-11)15-8-9-4-3-5-10(9)13/h6-7,9-10H,2-5,8,13H2,1H3,(H,14,15,16)
InChIKeyYORIWLBJSLCVAR-UHFFFAOYSA-N
XLogP1.41
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
CID 115974598
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975730
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 146105827
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine (CID 112639496) is N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCC2CCCC2N)n1.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is YORIWLBJSLCVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-11-6-7-14-12(16-11)15-8-9-4-3-5-10(9)13/h6-7,9-10H,2-5,8,13H2,1H3,(H,14,15,16).
What are the key properties of N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).