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

C15H21N5 — CID 72870635

IUPAC4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1cnn(CC2CCN(c3nccc(C)n3)CC2)c1
InChIInChI=1S/C15H21N5/c1-12-9-17-20(10-12)11-14-4-7-19(8-5-14)15-16-6-3-13(2)18-15/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3
InChIKeyRGVPDYYSCZFVLE-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.21
Rot. Bonds3

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

4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 72870635) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
PubChem CID72870635
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1cnn(CC2CCN(c3nccc(C)n3)CC2)c1
InChIInChI=1S/C15H21N5/c1-12-9-17-20(10-12)11-14-4-7-19(8-5-14)15-16-6-3-13(2)18-15/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3
InChIKeyRGVPDYYSCZFVLE-UHFFFAOYSA-N
XLogP2.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 171701827
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
2-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-4-methylpyrimidine
CID 154575486
2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310058
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133342054
2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154580624
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 55152111
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
5-ethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidin-2-amine
CID 72883353

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine (CID 72870635) is 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine is Cc1cnn(CC2CCN(c3nccc(C)n3)CC2)c1.
What is the InChIKey of 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is RGVPDYYSCZFVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-9-17-20(10-12)11-14-4-7-19(8-5-14)15-16-6-3-13(2)18-15/h3,6,9-10,14H,4-5,7-8,11H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72870635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).