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

C15H25F2N3O — CID 103150345

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)F)nc(C)c1C(C)C
InChIInChI=1S/C15H25F2N3O/c1-5-7-18-15-14(10(2)3)11(4)19-13(20-15)6-8-21-9-12(16)17/h10,12H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyQKHUKABYXFBAGX-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.55
Rot. Bonds9

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

2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 103150345) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID103150345
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOCC(F)F)nc(C)c1C(C)C
InChIInChI=1S/C15H25F2N3O/c1-5-7-18-15-14(10(2)3)11(4)19-13(20-15)6-8-21-9-12(16)17/h10,12H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyQKHUKABYXFBAGX-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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

2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 103150375
6-methyl-2-(3-methylbutyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63486822
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150283
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 103150814
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314
5-bromo-6-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-N-propylpyrimidin-4-amine
CID 103150464
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 103150529
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 103150808
5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150294

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 103150345) is 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(CCOCC(F)F)nc(C)c1C(C)C.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is QKHUKABYXFBAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-5-7-18-15-14(10(2)3)11(4)19-13(20-15)6-8-21-9-12(16)17/h10,12H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 301.38 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103150345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).