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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Related Compounds

CID 69093313
CID 69093313
CID 134133048
CID 134133048
CID 53467620
CID 53467620
CID 25247836
CID 25247836
CID 54593304
CID 54593304
CID 10749494
CID 10749494
CID 12493313
CID 12493313
CID 21192071
CID 21192071
CID 58611206
CID 58611206
CID 91447993
CID 91447993
CID 129230006
CID 129230006
CID 134133755
CID 134133755

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).