5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine

C11H16N6 — CID 82875067

IUPAC5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCc1ccn(C)n1
InChIInChI=1S/C11H16N6/c1-3-9-10(12)14-7-15-11(9)13-6-8-4-5-17(2)16-8/h4-5,7H,3,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyXHUMNEATTDREQS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.97
Rot. Bonds4

About 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine

5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 82875067) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID82875067
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCc1ccn(C)n1
InChIInChI=1S/C11H16N6/c1-3-9-10(12)14-7-15-11(9)13-6-8-4-5-17(2)16-8/h4-5,7H,3,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyXHUMNEATTDREQS-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1-methylpyrazol-3-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 82875706
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 115757903
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
4-chloro-6-[(1-methylpyrazol-3-yl)methylamino]pyrimidine-5-carbaldehyde
CID 82873974
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
4-N-[(5-bromothiophen-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80838008
3-[(1-methylpyrazol-3-yl)methylamino]pyrazine-2-carbothioamide
CID 82874016

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 82875067) is 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCc1ccn(C)n1.
What is the InChIKey of 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is XHUMNEATTDREQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-9-10(12)14-7-15-11(9)13-6-8-4-5-17(2)16-8/h4-5,7H,3,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 82875067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).