2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine

C12H23N5O — CID 80900777

IUPAC2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CCOC)c1ccnc(NN)n1
InChIInChI=1S/C12H23N5O/c1-4-10(5-2)17(8-9-18-3)11-6-7-14-12(15-11)16-13/h6-7,10H,4-5,8-9,13H2,1-3H3,(H,14,15,16)
InChIKeyFUUKOPIZCIIVMB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.40
Rot. Bonds8

About 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine

2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 80900777) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
PubChem CID80900777
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)N(CCOC)c1ccnc(NN)n1
InChIInChI=1S/C12H23N5O/c1-4-10(5-2)17(8-9-18-3)11-6-7-14-12(15-11)16-13/h6-7,10H,4-5,8-9,13H2,1-3H3,(H,14,15,16)
InChIKeyFUUKOPIZCIIVMB-UHFFFAOYSA-N
XLogP1.40
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
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

2-hydrazinyl-N-propan-2-yl-N-propylpyrimidin-4-amine
CID 80895366
6-hydrazinyl-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80900949
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55002889
N-(2-methoxyethyl)-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
CID 62288159
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773
6-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80964530
[6-[2-methoxyethyl(pentan-3-yl)amino]-2-pyridinyl]methanol
CID 62255181
3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80905657
6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55052887
2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544106

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine (CID 80900777) is 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)N(CCOC)c1ccnc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is FUUKOPIZCIIVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-10(5-2)17(8-9-18-3)11-6-7-14-12(15-11)16-13/h6-7,10H,4-5,8-9,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine?
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80900777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).