N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine

C15H25F2N3O — CID 103150808

IUPACN-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCc1nc(CCOCC(F)F)nc(C)c1CCNC(C)C
InChIInChI=1S/C15H25F2N3O/c1-10(2)18-7-5-13-11(3)19-15(20-12(13)4)6-8-21-9-14(16)17/h10,14,18H,5-9H2,1-4H3
InChIKeyYUMLKSCTCLQHKV-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.46
Rot. Bonds9

About N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine

N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine (PubChem CID 103150808) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
PubChem CID103150808
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC NameN-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
SMILESCc1nc(CCOCC(F)F)nc(C)c1CCNC(C)C
InChIInChI=1S/C15H25F2N3O/c1-10(2)18-7-5-13-11(3)19-15(20-12(13)4)6-8-21-9-14(16)17/h10,14,18H,5-9H2,1-4H3
InChIKeyYUMLKSCTCLQHKV-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(2-methoxyethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 102929118
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 103150814
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 103150529
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150345
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103150772
3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 103151346

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine (CID 103150808) is N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine is Cc1nc(CCOCC(F)F)nc(C)c1CCNC(C)C.
What is the InChIKey of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
The InChIKey is YUMLKSCTCLQHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-10(2)18-7-5-13-11(3)19-15(20-12(13)4)6-8-21-9-14(16)17/h10,14,18H,5-9H2,1-4H3.
What are the key properties of N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine?
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine has a molecular weight of 301.38 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 103150808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).