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

C9H17F2N3 — CID 130513083

IUPACN-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCN(CC(F)F)C1=NCC(C)(C)CN1
InChIInChI=1S/C9H17F2N3/c1-9(2)5-12-8(13-6-9)14(3)4-7(10)11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyGOACGVWKSFTTBQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.17
Rot. Bonds2

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

N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 130513083) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID130513083
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC NameN-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCN(CC(F)F)C1=NCC(C)(C)CN1
InChIInChI=1S/C9H17F2N3/c1-9(2)5-12-8(13-6-9)14(3)4-7(10)11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyGOACGVWKSFTTBQ-UHFFFAOYSA-N
XLogP1.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.17
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)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 130513083) is N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine is CN(CC(F)F)C1=NCC(C)(C)CN1.
What is the InChIKey of N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is GOACGVWKSFTTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-9(2)5-12-8(13-6-9)14(3)4-7(10)11/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-(2,2-difluoroethyl)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 205.25 g/mol, XLogP of 1.17, 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)-N,5,5-trimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 130513083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).