N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

C8H16FN3 — CID 130513113

IUPACN-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(NCCF)NC1
InChIInChI=1S/C8H16FN3/c1-8(2)5-11-7(12-6-8)10-4-3-9/h3-6H2,1-2H3,(H2,10,11,12)
InChIKeyOKEFLVYCBLQNNS-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.53
Rot. Bonds2

About N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 130513113) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID130513113
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC NameN-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(NCCF)NC1
InChIInChI=1S/C8H16FN3/c1-8(2)5-11-7(12-6-8)10-4-3-9/h3-6H2,1-2H3,(H2,10,11,12)
InChIKeyOKEFLVYCBLQNNS-UHFFFAOYSA-N
XLogP0.53
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 12052711
N-tert-butyl-5-fluoro-1,4,5,6-tetrahydropyrimidin-2-amine
CID 89957331
5-fluoro-N-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 89957406
5-fluoro-N-methyl-1,3-diazinan-2-imine
CID 136970355
N-ethyl-5-fluoro-1,4,5,6-tetrahydropyrimidin-2-amine
CID 153695431
1-Ethyl-2-(2-methylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778393
2-Methyl-1-(2-methylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778397
1-Ethyl-2-propyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778479
2-Methyl-1-propyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778481
1-[3-(Dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112001669
1-[3-(Dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 112001670
2-[3-(Dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 112001725

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 130513113) is N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is CC1(C)CN=C(NCCF)NC1.
What is the InChIKey of N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is OKEFLVYCBLQNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c1-8(2)5-11-7(12-6-8)10-4-3-9/h3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 173.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 130513113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).