4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

C12H19N7 — CID 75442123

IUPAC4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCCN(C)CCNc1ncnc(-n2cccn2)c1N
InChIInChI=1S/C12H19N7/c1-3-18(2)8-6-14-11-10(13)12(16-9-15-11)19-7-4-5-17-19/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyYOBWQNHBMGPWGZ-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.61
Rot. Bonds6

About 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 75442123) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID75442123
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCCN(C)CCNc1ncnc(-n2cccn2)c1N
InChIInChI=1S/C12H19N7/c1-3-18(2)8-6-14-11-10(13)12(16-9-15-11)19-7-4-5-17-19/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyYOBWQNHBMGPWGZ-UHFFFAOYSA-N
XLogP0.61
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 75442123) is 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is CCN(C)CCNc1ncnc(-n2cccn2)c1N.
What is the InChIKey of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is YOBWQNHBMGPWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-18(2)8-6-14-11-10(13)12(16-9-15-11)19-7-4-5-17-19/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 261.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 75442123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).