2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine

C8H15N5O — CID 80944536

IUPAC2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCNc1ccnc(NN)n1
InChIInChI=1S/C8H15N5O/c1-14-6-2-4-10-7-3-5-11-8(12-7)13-9/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12,13)
InChIKeyFJLIJBFJRHDYSE-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.21
Rot. Bonds6

About 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine

2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine (PubChem CID 80944536) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
PubChem CID80944536
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
SMILESCOCCCNc1ccnc(NN)n1
InChIInChI=1S/C8H15N5O/c1-14-6-2-4-10-7-3-5-11-8(12-7)13-9/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12,13)
InChIKeyFJLIJBFJRHDYSE-UHFFFAOYSA-N
XLogP0.21
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
N-(2-hydrazinylpyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 80918773
4-N-(3-methoxypropyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882663
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
2-N-(3,4-dimethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886076
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine (CID 80944536) is 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine is COCCCNc1ccnc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine?
The InChIKey is FJLIJBFJRHDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-14-6-2-4-10-7-3-5-11-8(12-7)13-9/h3,5H,2,4,6,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine?
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine has a molecular weight of 197.24 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 80944536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).