5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine

C11H16N6 — CID 142345155

IUPAC5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)ncc1-c1cnn(C)c1
InChIInChI=1S/C11H16N6/c1-3-4-13-10-9(6-14-11(12)16-10)8-5-15-17(2)7-8/h5-7H,3-4H2,1-2H3,(H3,12,13,14,16)
InChIKeyDXIMDYLUFJDTRX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.28
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine

5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 142345155) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID142345155
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)ncc1-c1cnn(C)c1
InChIInChI=1S/C11H16N6/c1-3-4-13-10-9(6-14-11(12)16-10)8-5-15-17(2)7-8/h5-7H,3-4H2,1-2H3,(H3,12,13,14,16)
InChIKeyDXIMDYLUFJDTRX-UHFFFAOYSA-N
XLogP1.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 153291318
1-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]but-3-ene-1,3-diamine
CID 135243598
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843
tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 134512059
2-methylidene-N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine
CID 135243537
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
N-[(2-aminocyclopentyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347814
2-[[5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
CID 39818400
4-N-[3-(4-chloropyrazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72904629
3-[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propyl]-1,3-oxazolidin-2-one
CID 121357781
6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821246

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine (CID 142345155) is 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1nc(N)ncc1-c1cnn(C)c1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is DXIMDYLUFJDTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-4-13-10-9(6-14-11(12)16-10)8-5-15-17(2)7-8/h5-7H,3-4H2,1-2H3,(H3,12,13,14,16).
What are the key properties of 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine?
5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 142345155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).