N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C15H22N6 — CID 80943671

IUPACN-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(CC)Cc2ccccn2)n1
InChIInChI=1S/C15H22N6/c1-3-7-13-18-14(20-16)10-15(19-13)21(4-2)11-12-8-5-6-9-17-12/h5-6,8-10H,3-4,7,11,16H2,1-2H3,(H,18,19,20)
InChIKeyXWUPEJMCVJLGRX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.14
Rot. Bonds7

About N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80943671) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID80943671
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(N(CC)Cc2ccccn2)n1
InChIInChI=1S/C15H22N6/c1-3-7-13-18-14(20-16)10-15(19-13)21(4-2)11-12-8-5-6-9-17-12/h5-6,8-10H,3-4,7,11,16H2,1-2H3,(H,18,19,20)
InChIKeyXWUPEJMCVJLGRX-UHFFFAOYSA-N
XLogP2.14
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 80943671) is N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(NN)cc(N(CC)Cc2ccccn2)n1.
What is the InChIKey of N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is XWUPEJMCVJLGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-7-13-18-14(20-16)10-15(19-13)21(4-2)11-12-8-5-6-9-17-12/h5-6,8-10H,3-4,7,11,16H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80943671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).