6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C11H17N7 — CID 80908447

IUPAC6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H17N7/c1-7-10(15-8(2)16-11(7)17-12)13-4-9-5-14-18(3)6-9/h5-6H,4,12H2,1-3H3,(H2,13,15,16,17)
InChIKeyOERNHSFJCNQXTP-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.72
Rot. Bonds4

About 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80908447) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID80908447
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(NN)c(C)c(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H17N7/c1-7-10(15-8(2)16-11(7)17-12)13-4-9-5-14-18(3)6-9/h5-6H,4,12H2,1-3H3,(H2,13,15,16,17)
InChIKeyOERNHSFJCNQXTP-UHFFFAOYSA-N
XLogP0.72
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982724
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 86795176
2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80937217
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
6-hydrazinyl-5-methyl-N-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 81006835
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
4-N,2,5-trimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80779198
5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 146145487
N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 39756579
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80816887

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 80908447) is 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc(NN)c(C)c(NCc2cnn(C)c2)n1.
What is the InChIKey of 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is OERNHSFJCNQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-7-10(15-8(2)16-11(7)17-12)13-4-9-5-14-18(3)6-9/h5-6H,4,12H2,1-3H3,(H2,13,15,16,17).
What are the key properties of 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 247.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80908447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).