N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine

C15H26N4O — CID 115975730

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CCCCC2CN)n1
InChIInChI=1S/C15H26N4O/c1-11(2)20-14-7-8-17-15(19-14)18-10-13-6-4-3-5-12(13)9-16/h7-8,11-13H,3-6,9-10,16H2,1-2H3,(H,17,18,19)
InChIKeyBMLBHRXYDRHEHC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds6

About N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975730) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID115975730
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CCCCC2CN)n1
InChIInChI=1S/C15H26N4O/c1-11(2)20-14-7-8-17-15(19-14)18-10-13-6-4-3-5-12(13)9-16/h7-8,11-13H,3-6,9-10,16H2,1-2H3,(H,17,18,19)
InChIKeyBMLBHRXYDRHEHC-UHFFFAOYSA-N
XLogP2.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115974164
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 115975730) is N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCC2CCCCC2CN)n1.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is BMLBHRXYDRHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)20-14-7-8-17-15(19-14)18-10-13-6-4-3-5-12(13)9-16/h7-8,11-13H,3-6,9-10,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).