N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C13H22N4O — CID 106126729

IUPACN-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CCC(N)C2)n1
InChIInChI=1S/C13H22N4O/c1-9(2)18-12-5-6-15-13(17-12)16-8-10-3-4-11(14)7-10/h5-6,9-11H,3-4,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyYDLXGJRJGGWYTQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds5

About N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 106126729) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID106126729
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CCC(N)C2)n1
InChIInChI=1S/C13H22N4O/c1-9(2)18-12-5-6-15-13(17-12)16-8-10-3-4-11(14)7-10/h5-6,9-11H,3-4,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyYDLXGJRJGGWYTQ-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975730
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975078
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 106126729) is N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCC2CCC(N)C2)n1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is YDLXGJRJGGWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)18-12-5-6-15-13(17-12)16-8-10-3-4-11(14)7-10/h5-6,9-11H,3-4,7-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 106126729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).