N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine

C9H13F2N3 — CID 130992738

IUPACN-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(NCCC(F)F)nc1C
InChIInChI=1S/C9H13F2N3/c1-6-5-13-9(14-7(6)2)12-4-3-8(10)11/h5,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyDILLQMDAMWUJAS-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.16
Rot. Bonds4

About N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine

N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine (PubChem CID 130992738) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine
PubChem CID130992738
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine
SMILESCc1cnc(NCCC(F)F)nc1C
InChIInChI=1S/C9H13F2N3/c1-6-5-13-9(14-7(6)2)12-4-3-8(10)11/h5,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyDILLQMDAMWUJAS-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 131209110
3-[(4,5-dimethylpyrimidin-2-yl)amino]propanamide
CID 131020900
2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide
CID 75436342
N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
4,5-dimethyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-2-amine
CID 128564545
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol
CID 130660373
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 80868216
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine (CID 130992738) is N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine is Cc1cnc(NCCC(F)F)nc1C.
What is the InChIKey of N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine?
The InChIKey is DILLQMDAMWUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-6-5-13-9(14-7(6)2)12-4-3-8(10)11/h5,8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine?
N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine has a molecular weight of 201.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-4,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 130992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).