6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine

C15H22N6O — CID 22543956

IUPAC6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1cccc(Nc2ncnc(NNC(C)(C)C)c2N)c1
InChIInChI=1S/C15H22N6O/c1-15(2,3)21-20-14-12(16)13(17-9-18-14)19-10-6-5-7-11(8-10)22-4/h5-9,21H,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyJSBNHZUEQRBQIS-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.53
Rot. Bonds5

About 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine

6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 22543956) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
PubChem CID22543956
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1cccc(Nc2ncnc(NNC(C)(C)C)c2N)c1
InChIInChI=1S/C15H22N6O/c1-15(2,3)21-20-14-12(16)13(17-9-18-14)19-10-6-5-7-11(8-10)22-4/h5-9,21H,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyJSBNHZUEQRBQIS-UHFFFAOYSA-N
XLogP2.53
TPSA97.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
N'-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 22543946
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19152757
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543893
4-N-(1,3-benzodioxol-5-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
CID 22542184
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22543846

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine (CID 22543956) is 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine is COc1cccc(Nc2ncnc(NNC(C)(C)C)c2N)c1.
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is JSBNHZUEQRBQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-15(2,3)21-20-14-12(16)13(17-9-18-14)19-10-6-5-7-11(8-10)22-4/h5-9,21H,16H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine?
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22543956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).