2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine

C18H24N6O — CID 172903091

IUPAC2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C18H24N6O/c1-23(15-6-8-19-17(20-15)12-2-3-12)14-7-9-24(10-14)11-16-21-22-18(25-16)13-4-5-13/h6,8,12-14H,2-5,7,9-11H2,1H3
InChIKeyJKTYXNWMWXTOFM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds6

About 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine

2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine (PubChem CID 172903091) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
PubChem CID172903091
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(Cc2nnc(C3CC3)o2)C1
InChIInChI=1S/C18H24N6O/c1-23(15-6-8-19-17(20-15)12-2-3-12)14-7-9-24(10-14)11-16-21-22-18(25-16)13-4-5-13/h6,8,12-14H,2-5,7,9-11H2,1H3
InChIKeyJKTYXNWMWXTOFM-UHFFFAOYSA-N
XLogP2.33
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904384
2-cyclopropyl-N-methyl-N-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904420
2-cyclopropyl-N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
CID 172902539
5-chloro-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163343876
2-cyclopropyl-N-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172904637
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 97028097
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373793
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
N-[[(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 97028617
N-[[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 71872633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine (CID 172903091) is 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CCN(Cc2nnc(C3CC3)o2)C1.
What is the InChIKey of 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
The InChIKey is JKTYXNWMWXTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-23(15-6-8-19-17(20-15)12-2-3-12)14-7-9-24(10-14)11-16-21-22-18(25-16)13-4-5-13/h6,8,12-14H,2-5,7,9-11H2,1H3.
What are the key properties of 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine?
2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 172903091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).