4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine

C16H23N5O — CID 22540813

IUPAC4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1cc(C)cc(Oc2ncnc(NNC(C)(C)C)c2N)c1
InChIInChI=1S/C16H23N5O/c1-10-6-11(2)8-12(7-10)22-15-13(17)14(18-9-19-15)20-21-16(3,4)5/h6-9,21H,17H2,1-5H3,(H,18,19,20)
InChIKeyJHKZBIUKCUZEAW-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.18
Rot. Bonds4

About 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine

4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine (PubChem CID 22540813) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
PubChem CID22540813
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1cc(C)cc(Oc2ncnc(NNC(C)(C)C)c2N)c1
InChIInChI=1S/C16H23N5O/c1-10-6-11(2)8-12(7-10)22-15-13(17)14(18-9-19-15)20-21-16(3,4)5/h6-9,21H,17H2,1-5H3,(H,18,19,20)
InChIKeyJHKZBIUKCUZEAW-UHFFFAOYSA-N
XLogP3.18
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
6-(3,5-dimethylphenoxy)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 22540649
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
4-N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540817
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540745
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
4-[[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 22540736
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine (CID 22540813) is 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine is Cc1cc(C)cc(Oc2ncnc(NNC(C)(C)C)c2N)c1.
What is the InChIKey of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine?
The InChIKey is JHKZBIUKCUZEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10-6-11(2)8-12(7-10)22-15-13(17)14(18-9-19-15)20-21-16(3,4)5/h6-9,21H,17H2,1-5H3,(H,18,19,20).
What are the key properties of 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine?
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine has a molecular weight of 301.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 22540813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).