6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C14H22N6 — CID 80853005

IUPAC6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCc2cnn(C)c2)n1
InChIInChI=1S/C14H22N6/c1-4-6-16-14-18-11(2)8-13(19-14)15-7-5-12-9-17-20(3)10-12/h8-10H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyZTXGAFHHBLQOIX-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.00
Rot. Bonds7

About 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80853005) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80853005
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCc2cnn(C)c2)n1
InChIInChI=1S/C14H22N6/c1-4-6-16-14-18-11(2)8-13(19-14)15-7-5-12-9-17-20(3)10-12/h8-10H,4-7H2,1-3H3,(H2,15,16,18,19)
InChIKeyZTXGAFHHBLQOIX-UHFFFAOYSA-N
XLogP2.00
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
4-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891725
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80966249
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 80853005) is 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCCc2cnn(C)c2)n1.
What is the InChIKey of 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ZTXGAFHHBLQOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-6-16-14-18-11(2)8-13(19-14)15-7-5-12-9-17-20(3)10-12/h8-10H,4-7H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80853005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).