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

C13H18N6 — CID 80946582

IUPAC6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCc2ccccn2)n1
InChIInChI=1S/C13H18N6/c1-2-5-11-17-12(8-13(18-11)19-14)16-9-10-6-3-4-7-15-10/h3-4,6-8H,2,5,9,14H2,1H3,(H2,16,17,18,19)
InChIKeyOWJGOVLNIZQKBH-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.72
Rot. Bonds6

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

6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80946582) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID80946582
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCc2ccccn2)n1
InChIInChI=1S/C13H18N6/c1-2-5-11-17-12(8-13(18-11)19-14)16-9-10-6-3-4-7-15-10/h3-4,6-8H,2,5,9,14H2,1H3,(H2,16,17,18,19)
InChIKeyOWJGOVLNIZQKBH-UHFFFAOYSA-N
XLogP1.72
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.72
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-N-ethyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80938770
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943671
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946742
6-N-methyl-2-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80945511
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80777060
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039
6-hydrazinyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80946967

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 80946582) is 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(NN)cc(NCc2ccccn2)n1.
What is the InChIKey of 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is OWJGOVLNIZQKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-5-11-17-12(8-13(18-11)19-14)16-9-10-6-3-4-7-15-10/h3-4,6-8H,2,5,9,14H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80946582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).