6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine

C10H16F2N6 — CID 139314140

IUPAC6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine
SMILESNc1ncnc(N(N)C2CCC(F)(F)CC2)c1N
InChIInChI=1S/C10H16F2N6/c11-10(12)3-1-6(2-4-10)18(15)9-7(13)8(14)16-5-17-9/h5-6H,1-4,13,15H2,(H2,14,16,17)
InChIKeySNQVNCUDCJWJSR-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.90
Rot. Bonds2

About 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine

6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine (PubChem CID 139314140) has the molecular formula C10H16F2N6 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine
PubChem CID139314140
Molecular FormulaC10H16F2N6
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine
SMILESNc1ncnc(N(N)C2CCC(F)(F)CC2)c1N
InChIInChI=1S/C10H16F2N6/c11-10(12)3-1-6(2-4-10)18(15)9-7(13)8(14)16-5-17-9/h5-6H,1-4,13,15H2,(H2,14,16,17)
InChIKeySNQVNCUDCJWJSR-UHFFFAOYSA-N
XLogP0.90
TPSA107.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine?
The IUPAC name of 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine (CID 139314140) is 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine?
The canonical SMILES for 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine is Nc1ncnc(N(N)C2CCC(F)(F)CC2)c1N.
What is the InChIKey of 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine?
The InChIKey is SNQVNCUDCJWJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N6/c11-10(12)3-1-6(2-4-10)18(15)9-7(13)8(14)16-5-17-9/h5-6H,1-4,13,15H2,(H2,14,16,17).
What are the key properties of 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine?
6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine has a molecular weight of 258.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4,4-difluorocyclohexyl)amino]pyrimidine-4,5-diamine is sourced from PubChem (CID 139314140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).