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

C14H19N5 — CID 133342054

IUPAC4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCC(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C14H19N5/c1-11-3-5-15-14(17-11)19-6-4-12(10-19)7-13-8-16-18(2)9-13/h3,5,8-9,12H,4,6-7,10H2,1-2H3
InChIKeyBXSDZRGYZASCAY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.59
Rot. Bonds3

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

4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 133342054) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID133342054
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCC(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C14H19N5/c1-11-3-5-15-14(17-11)19-6-4-12(10-19)7-13-8-16-18(2)9-13/h3,5,8-9,12H,4,6-7,10H2,1-2H3
InChIKeyBXSDZRGYZASCAY-UHFFFAOYSA-N
XLogP1.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2,4-bis[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133349405
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
4-chloro-5-ethyl-2-methyl-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133341990
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133341927
7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133341876
4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 171701827
8-fluoro-2-methyl-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
CID 133368525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 133342054) is 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is Cc1ccnc(N2CCC(Cc3cnn(C)c3)C2)n1.
What is the InChIKey of 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is BXSDZRGYZASCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11-3-5-15-14(17-11)19-6-4-12(10-19)7-13-8-16-18(2)9-13/h3,5,8-9,12H,4,6-7,10H2,1-2H3.
What are the key properties of 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 257.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133342054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).