N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine

C9H14F2N4O2 — CID 114384443

IUPACN'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESCOc1cc(OC)nc(NCC(F)(F)CN)n1
InChIInChI=1S/C9H14F2N4O2/c1-16-6-3-7(17-2)15-8(14-6)13-5-9(10,11)4-12/h3H,4-5,12H2,1-2H3,(H,13,14,15)
InChIKeyIPMGOXHXPWPOQD-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.50
Rot. Bonds6

About N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine

N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine (PubChem CID 114384443) has the molecular formula C9H14F2N4O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
PubChem CID114384443
Molecular FormulaC9H14F2N4O2
Molecular Weight248.23 g/mol
Exact Mass248.11
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESCOc1cc(OC)nc(NCC(F)(F)CN)n1
InChIInChI=1S/C9H14F2N4O2/c1-16-6-3-7(17-2)15-8(14-6)13-5-9(10,11)4-12/h3H,4-5,12H2,1-2H3,(H,13,14,15)
InChIKeyIPMGOXHXPWPOQD-UHFFFAOYSA-N
XLogP0.50
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine (CID 114384443) is N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine is COc1cc(OC)nc(NCC(F)(F)CN)n1.
What is the InChIKey of N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is IPMGOXHXPWPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2/c1-16-6-3-7(17-2)15-8(14-6)13-5-9(10,11)4-12/h3H,4-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine?
N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 248.23 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 114384443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).