6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine

C12H22N6 — CID 80897697

IUPAC6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCc1nc(NN)cc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C12H22N6/c1-9(8-18-5-3-4-6-18)14-11-7-12(17-13)16-10(2)15-11/h7,9H,3-6,8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyBTXMSWGJNMPRMJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.97
Rot. Bonds5

About 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine

6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80897697) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID80897697
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCc1nc(NN)cc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C12H22N6/c1-9(8-18-5-3-4-6-18)14-11-7-12(17-13)16-10(2)15-11/h7,9H,3-6,8,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyBTXMSWGJNMPRMJ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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

6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720566
6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrazin-2-amine
CID 80897850
6-hydrazinyl-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897399
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964286
6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 61474335
2,5-dimethyl-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801780
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
6-hydrazinyl-2,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 80914851
6-N-ethyl-2,5-dimethyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801137
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80896860
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine (CID 80897697) is 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine is Cc1nc(NN)cc(NC(C)CN2CCCC2)n1.
What is the InChIKey of 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is BTXMSWGJNMPRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9(8-18-5-3-4-6-18)14-11-7-12(17-13)16-10(2)15-11/h7,9H,3-6,8,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80897697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).