N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C15H24N4O — CID 83189314

IUPACN-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOCC1CCN(c2ncc(CNC3CC3)c(C)n2)C1
InChIInChI=1S/C15H24N4O/c1-11-13(7-16-14-3-4-14)8-17-15(18-11)19-6-5-12(9-19)10-20-2/h8,12,14,16H,3-7,9-10H2,1-2H3
InChIKeyWOKVVBOCZCMKLE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds6

About N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83189314) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83189314
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCOCC1CCN(c2ncc(CNC3CC3)c(C)n2)C1
InChIInChI=1S/C15H24N4O/c1-11-13(7-16-14-3-4-14)8-17-15(18-11)19-6-5-12(9-19)10-20-2/h8,12,14,16H,3-7,9-10H2,1-2H3
InChIKeyWOKVVBOCZCMKLE-UHFFFAOYSA-N
XLogP1.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 83184845
N-[[4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83185436
N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186135
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186302
N-[[4-methyl-2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 106316581
N-[[4-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114412620
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185097
N-[[4-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83189031
1-[5-(methoxymethyl)-4-methylpyrimidin-2-yl]piperidin-4-amine
CID 103278668
N-[[4-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]cyclopropanamine
CID 64597589

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83189314) is N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is COCC1CCN(c2ncc(CNC3CC3)c(C)n2)C1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is WOKVVBOCZCMKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-13(7-16-14-3-4-14)8-17-15(18-11)19-6-5-12(9-19)10-20-2/h8,12,14,16H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 276.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83189314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).