N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C7H13F2N3 — CID 130870397

IUPACN-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCC(F)F
InChIInChI=1S/C7H13F2N3/c1-12-4-2-3-10-7(12)11-5-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyNFORZTGXGLWNKK-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.53
Rot. Bonds2

About N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 130870397) has the molecular formula C7H13F2N3 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID130870397
Molecular FormulaC7H13F2N3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC NameN-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCC(F)F
InChIInChI=1S/C7H13F2N3/c1-12-4-2-3-10-7(12)11-5-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyNFORZTGXGLWNKK-UHFFFAOYSA-N
XLogP0.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 130870397) is N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is NFORZTGXGLWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3/c1-12-4-2-3-10-7(12)11-5-6(8)9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 177.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 130870397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).