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

C14H18F2N6 — CID 19152757

IUPAC6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
SMILESCC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C14H18F2N6/c1-14(2,3)22-21-13-11(17)12(18-7-19-13)20-8-4-5-9(15)10(16)6-8/h4-7,22H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyVEXVCOUKKPSNCS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds4

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

6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine (PubChem CID 19152757) has the molecular formula C14H18F2N6 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
PubChem CID19152757
Molecular FormulaC14H18F2N6
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC Name6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
SMILESCC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1N
InChIInChI=1S/C14H18F2N6/c1-14(2,3)22-21-13-11(17)12(18-7-19-13)20-8-4-5-9(15)10(16)6-8/h4-7,22H,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyVEXVCOUKKPSNCS-UHFFFAOYSA-N
XLogP2.80
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1,3-benzodioxol-5-yl)-6-(2-tert-butylhydrazinyl)pyrimidine-4,5-diamine
CID 22542184
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
6-(2-tert-butylhydrazinyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543956
4-N-(3,4-difluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153925
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
N'-[5-amino-6-(3,4-difluoroanilino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19151410
6-N-(3,4-difluorophenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141696
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 2960519
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine (CID 19152757) is 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine is CC(C)(C)NNc1ncnc(Nc2ccc(F)c(F)c2)c1N.
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine?
The InChIKey is VEXVCOUKKPSNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6/c1-14(2,3)22-21-13-11(17)12(18-7-19-13)20-8-4-5-9(15)10(16)6-8/h4-7,22H,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine?
6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine has a molecular weight of 308.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19152757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).