2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine

C19H30N6 — CID 50984336

IUPAC2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1N1CCN(Cc2cnn(C(C)C)c2)CC1
InChIInChI=1S/C19H30N6/c1-5-6-18-12-20-16(4)22-19(18)24-9-7-23(8-10-24)13-17-11-21-25(14-17)15(2)3/h11-12,14-15H,5-10,13H2,1-4H3
InChIKeyHGUUJAFYRDOMNJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.84
Rot. Bonds6

About 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine

2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine (PubChem CID 50984336) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine
PubChem CID50984336
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1N1CCN(Cc2cnn(C(C)C)c2)CC1
InChIInChI=1S/C19H30N6/c1-5-6-18-12-20-16(4)22-19(18)24-9-7-23(8-10-24)13-17-11-21-25(14-17)15(2)3/h11-12,14-15H,5-10,13H2,1-4H3
InChIKeyHGUUJAFYRDOMNJ-UHFFFAOYSA-N
XLogP2.84
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 74243129
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 59321897
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 95210934
1-(2-methylpropyl)-8-(2-methyl-5-propylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419600
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 104869499
3-(2-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 83889648
(3S,4S)-4-cyclopropyl-1-(2-methyl-5-propylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70761393
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
(2S)-2-imidazol-1-yl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 95978214
(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 124620281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine?
The IUPAC name of 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine (CID 50984336) is 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine.
What is the SMILES notation for 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine?
The canonical SMILES for 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine is CCCc1cnc(C)nc1N1CCN(Cc2cnn(C(C)C)c2)CC1.
What is the InChIKey of 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine?
The InChIKey is HGUUJAFYRDOMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-5-6-18-12-20-16(4)22-19(18)24-9-7-23(8-10-24)13-17-11-21-25(14-17)15(2)3/h11-12,14-15H,5-10,13H2,1-4H3.
What are the key properties of 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine?
2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine has a molecular weight of 342.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine is sourced from PubChem (CID 50984336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).