6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C12H22N6 — CID 80908827

IUPAC6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2cc(NN)ncn2)C1
InChIInChI=1S/C12H22N6/c1-9(2)18-4-3-10(7-18)6-14-11-5-12(17-13)16-8-15-11/h5,8-10H,3-4,6-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyPMSSIUADFMSRIY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds5

About 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 80908827) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID80908827
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2cc(NN)ncn2)C1
InChIInChI=1S/C12H22N6/c1-9(2)18-4-3-10(7-18)6-14-11-5-12(17-13)16-8-15-11/h5,8-10H,3-4,6-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyPMSSIUADFMSRIY-UHFFFAOYSA-N
XLogP0.90
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 80908827) is 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is CC(C)N1CCC(CNc2cc(NN)ncn2)C1.
What is the InChIKey of 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is PMSSIUADFMSRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9(2)18-4-3-10(7-18)6-14-11-5-12(17-13)16-8-15-11/h5,8-10H,3-4,6-7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80908827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).