N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine

C17H29N3O — CID 104611897

IUPACN-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCOC1(c2nc(C)c(CCNC(C)C)c(C)n2)CCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)18-11-8-15-13(3)19-16(20-14(15)4)17(21-5)9-6-7-10-17/h12,18H,6-11H2,1-5H3
InChIKeyLIYSOMPAMOYSJI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine

N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine (PubChem CID 104611897) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
PubChem CID104611897
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCOC1(c2nc(C)c(CCNC(C)C)c(C)n2)CCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)18-11-8-15-13(3)19-16(20-14(15)4)17(21-5)9-6-7-10-17/h12,18H,6-11H2,1-5H3
InChIKeyLIYSOMPAMOYSJI-UHFFFAOYSA-N
XLogP3.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine (CID 104611897) is N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine is COC1(c2nc(C)c(CCNC(C)C)c(C)n2)CCCC1.
What is the InChIKey of N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The InChIKey is LIYSOMPAMOYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)18-11-8-15-13(3)19-16(20-14(15)4)17(21-5)9-6-7-10-17/h12,18H,6-11H2,1-5H3.
What are the key properties of N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 104611897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).