2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

C13H21N7 — CID 82874800

IUPAC2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCn1ccc(CNc2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H21N7/c1-13(2,3)12-16-10(7-11(17-12)18-14)15-8-9-5-6-20(4)19-9/h5-7H,8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyASEODHATAJECHA-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.41
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 82874800) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID82874800
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
SMILESCn1ccc(CNc2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H21N7/c1-13(2,3)12-16-10(7-11(17-12)18-14)15-8-9-5-6-20(4)19-9/h5-7H,8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyASEODHATAJECHA-UHFFFAOYSA-N
XLogP1.41
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
2-tert-butyl-6-N,5-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874404
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
6-hydrazinyl-2-(methoxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 106106909
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959824
2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80969342
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine (CID 82874800) is 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is Cn1ccc(CNc2cc(NN)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is ASEODHATAJECHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-13(2,3)12-16-10(7-11(17-12)18-14)15-8-9-5-6-20(4)19-9/h5-7H,8,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 82874800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).