N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine

C19H28N6O — CID 46980390

IUPACN-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine
SMILESCN(CCn1cncc1-c1cnc(N2CCOCC2)nc1)C1CCCC1
InChIInChI=1S/C19H28N6O/c1-23(17-4-2-3-5-17)6-7-25-15-20-14-18(25)16-12-21-19(22-13-16)24-8-10-26-11-9-24/h12-15,17H,2-11H2,1H3
InChIKeyWLDYEJBAZQJMBY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.05
Rot. Bonds6

About N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine

N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine (PubChem CID 46980390) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine
PubChem CID46980390
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine
SMILESCN(CCn1cncc1-c1cnc(N2CCOCC2)nc1)C1CCCC1
InChIInChI=1S/C19H28N6O/c1-23(17-4-2-3-5-17)6-7-25-15-20-14-18(25)16-12-21-19(22-13-16)24-8-10-26-11-9-24/h12-15,17H,2-11H2,1H3
InChIKeyWLDYEJBAZQJMBY-UHFFFAOYSA-N
XLogP2.05
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine?
The IUPAC name of N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine (CID 46980390) is N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine is CN(CCn1cncc1-c1cnc(N2CCOCC2)nc1)C1CCCC1.
What is the InChIKey of N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine?
The InChIKey is WLDYEJBAZQJMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23(17-4-2-3-5-17)6-7-25-15-20-14-18(25)16-12-21-19(22-13-16)24-8-10-26-11-9-24/h12-15,17H,2-11H2,1H3.
What are the key properties of N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine?
N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine has a molecular weight of 356.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 46980390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).