N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

C12H22N6 — CID 80899426

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCN1CCC(CNc2cc(NN)nc(C)n2)C1
InChIInChI=1S/C12H22N6/c1-3-18-5-4-10(8-18)7-14-11-6-12(17-13)16-9(2)15-11/h6,10H,3-5,7-8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySNJHHOQWCXGJIC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.82
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80899426) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80899426
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCN1CCC(CNc2cc(NN)nc(C)n2)C1
InChIInChI=1S/C12H22N6/c1-3-18-5-4-10(8-18)7-14-11-6-12(17-13)16-9(2)15-11/h6,10H,3-5,7-8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeySNJHHOQWCXGJIC-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053019
6-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-2,6-diamine
CID 80646581
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332422
1-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 62911118
2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 50977340
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142498
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
2-bromo-1-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methylbenzene-1,4-diamine
CID 114048177
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563002

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80899426) is N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is CCN1CCC(CNc2cc(NN)nc(C)n2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is SNJHHOQWCXGJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-3-18-5-4-10(8-18)7-14-11-6-12(17-13)16-9(2)15-11/h6,10H,3-5,7-8,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80899426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).