N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine

C11H18N4O — CID 112639518

IUPACN-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CC(N)C2)n1
InChIInChI=1S/C11H18N4O/c1-2-16-10-3-4-13-11(15-10)14-7-8-5-9(12)6-8/h3-4,8-9H,2,5-7,12H2,1H3,(H,13,14,15)
InChIKeyYLBUIDJLVQCITP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine

N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine (PubChem CID 112639518) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
PubChem CID112639518
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CC(N)C2)n1
InChIInChI=1S/C11H18N4O/c1-2-16-10-3-4-13-11(15-10)14-7-8-5-9(12)6-8/h3-4,8-9H,2,5-7,12H2,1H3,(H,13,14,15)
InChIKeyYLBUIDJLVQCITP-UHFFFAOYSA-N
XLogP1.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
CID 115974598
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine (CID 112639518) is N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCC2CC(N)C2)n1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is YLBUIDJLVQCITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-16-10-3-4-13-11(15-10)14-7-8-5-9(12)6-8/h3-4,8-9H,2,5-7,12H2,1H3,(H,13,14,15).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine?
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).