2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine

C12H21N5 — CID 80968524

IUPAC2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5/c1-2-3-4-7-14-10-8-11(17-13)16-12(15-10)9-5-6-9/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyHTYMRBPPEWFYRK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds7

About 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine (PubChem CID 80968524) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
PubChem CID80968524
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C12H21N5/c1-2-3-4-7-14-10-8-11(17-13)16-12(15-10)9-5-6-9/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyHTYMRBPPEWFYRK-UHFFFAOYSA-N
XLogP2.24
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
6-hydrazinyl-N-octyl-2-propylpyrimidin-4-amine
CID 115565446
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80964019
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine (CID 80968524) is 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine is CCCCCNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine?
The InChIKey is HTYMRBPPEWFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-3-4-7-14-10-8-11(17-13)16-12(15-10)9-5-6-9/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 80968524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).