2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H20N6 — CID 80969342

IUPAC2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCc2cccnc2)n1
InChIInChI=1S/C14H20N6/c1-14(2,3)13-18-11(7-12(19-13)20-15)17-9-10-5-4-6-16-8-10/h4-8H,9,15H2,1-3H3,(H2,17,18,19,20)
InChIKeyBWAMXCPIHUBPDF-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.07
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80969342) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID80969342
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(NN)cc(NCc2cccnc2)n1
InChIInChI=1S/C14H20N6/c1-14(2,3)13-18-11(7-12(19-13)20-15)17-9-10-5-4-6-16-8-10/h4-8H,9,15H2,1-3H3,(H2,17,18,19,20)
InChIKeyBWAMXCPIHUBPDF-UHFFFAOYSA-N
XLogP2.07
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.07
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

N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 81000914
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 80969342) is 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CC(C)(C)c1nc(NN)cc(NCc2cccnc2)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is BWAMXCPIHUBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-14(2,3)13-18-11(7-12(19-13)20-15)17-9-10-5-4-6-16-8-10/h4-8H,9,15H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80969342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).