2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine

C14H19N5O — CID 126947485

IUPAC2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
SMILESCOCc1nccc(N2CCC(n3cc(C)cn3)C2)n1
InChIInChI=1S/C14H19N5O/c1-11-7-16-19(8-11)12-4-6-18(9-12)14-3-5-15-13(17-14)10-20-2/h3,5,7-8,12H,4,6,9-10H2,1-2H3
InChIKeyKLBRSGJRKPOINX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds4

About 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine

2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 126947485) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID126947485
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine
SMILESCOCc1nccc(N2CCC(n3cc(C)cn3)C2)n1
InChIInChI=1S/C14H19N5O/c1-11-7-16-19(8-11)12-4-6-18(9-12)14-3-5-15-13(17-14)10-20-2/h3,5,7-8,12H,4,6,9-10H2,1-2H3
InChIKeyKLBRSGJRKPOINX-UHFFFAOYSA-N
XLogP1.58
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
5-[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 126947079
2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
2-(methoxymethyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 10869888
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
CID 126947503
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126947553
(3aR,6aS)-3-[1-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-5-propanoyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 167953082
[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
CID 121204980
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499
[2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-4-pyridinyl]methanol
CID 138033464
5-chloro-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 146089222

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine (CID 126947485) is 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine is COCc1nccc(N2CCC(n3cc(C)cn3)C2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is KLBRSGJRKPOINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-7-16-19(8-11)12-4-6-18(9-12)14-3-5-15-13(17-14)10-20-2/h3,5,7-8,12H,4,6,9-10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine?
2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 126947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).