fluoromethane;2-propan-2-ylpyrimidine

C8H13FN2 — CID 161216719

IUPACfluoromethane;2-propan-2-ylpyrimidine
SMILESCC(C)c1ncccn1.CF
InChIInChI=1S/C7H10N2.CH3F/c1-6(2)7-8-4-3-5-9-7;1-2/h3-6H,1-2H3;1H3
InChIKeyUWYSJKPXEAWSCF-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.19
Rot. Bonds1

About fluoromethane;2-propan-2-ylpyrimidine

fluoromethane;2-propan-2-ylpyrimidine (PubChem CID 161216719) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is fluoromethane;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Namefluoromethane;2-propan-2-ylpyrimidine
PubChem CID161216719
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Namefluoromethane;2-propan-2-ylpyrimidine
SMILESCC(C)c1ncccn1.CF
InChIInChI=1S/C7H10N2.CH3F/c1-6(2)7-8-4-3-5-9-7;1-2/h3-6H,1-2H3;1H3
InChIKeyUWYSJKPXEAWSCF-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
CID 68761664
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
(1R,2R)-2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130900174
2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130985791
5-(fluoromethyl)-2-propan-2-ylpyrimidine
CID 121401170
2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
3-pyrimidin-2-ylbutan-2-one
CID 63197013
2-propan-2-ylpyrimidine-5-thiol
CID 149236616
2-(dichloromethyl)pyrimidine
CID 68554638
CID 174069599
CID 174069599

Frequently Asked Questions

What is the IUPAC name of fluoromethane;2-propan-2-ylpyrimidine?
The IUPAC name of fluoromethane;2-propan-2-ylpyrimidine (CID 161216719) is fluoromethane;2-propan-2-ylpyrimidine.
What is the SMILES notation for fluoromethane;2-propan-2-ylpyrimidine?
The canonical SMILES for fluoromethane;2-propan-2-ylpyrimidine is CC(C)c1ncccn1.CF.
What is the InChIKey of fluoromethane;2-propan-2-ylpyrimidine?
The InChIKey is UWYSJKPXEAWSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.CH3F/c1-6(2)7-8-4-3-5-9-7;1-2/h3-6H,1-2H3;1H3.
What are the key properties of fluoromethane;2-propan-2-ylpyrimidine?
fluoromethane;2-propan-2-ylpyrimidine has a molecular weight of 156.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2-propan-2-ylpyrimidine is sourced from PubChem (CID 161216719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).