1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine

C11H16F6N6 — CID 175060736

IUPAC1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine
SMILESNCC(F)(F)C(N)(N1C=NCC(F)(F)C1)N1C=NCC(F)(F)C1
InChIInChI=1S/C11H16F6N6/c12-8(13)2-20-6-22(4-8)11(19,10(16,17)1-18)23-5-9(14,15)3-21-7-23/h6-7H,1-5,18-19H2
InChIKeyMYXNHTPUDZHDDE-UHFFFAOYSA-N
MW346.28 g/mol
LogP0.15
Rot. Bonds4

About 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine

1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine (PubChem CID 175060736) has the molecular formula C11H16F6N6 and a molecular weight of 346.28 g/mol. Its IUPAC name is 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound Name1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine
PubChem CID175060736
Molecular FormulaC11H16F6N6
Molecular Weight346.28 g/mol
Exact Mass346.13
IUPAC Name1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine
SMILESNCC(F)(F)C(N)(N1C=NCC(F)(F)C1)N1C=NCC(F)(F)C1
InChIInChI=1S/C11H16F6N6/c12-8(13)2-20-6-22(4-8)11(19,10(16,17)1-18)23-5-9(14,15)3-21-7-23/h6-7H,1-5,18-19H2
InChIKeyMYXNHTPUDZHDDE-UHFFFAOYSA-N
XLogP0.15
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine (CID 175060736) is 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine is NCC(F)(F)C(N)(N1C=NCC(F)(F)C1)N1C=NCC(F)(F)C1.
What is the InChIKey of 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is MYXNHTPUDZHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N6/c12-8(13)2-20-6-22(4-8)11(19,10(16,17)1-18)23-5-9(14,15)3-21-7-23/h6-7H,1-5,18-19H2.
What are the key properties of 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine?
1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 346.28 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(5,5-difluoro-4,6-dihydropyrimidin-1-yl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 175060736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).