2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine

C19H19F2N5O — CID 56742159

IUPAC2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(NCc2cccnc2Oc2ccc(F)cc2F)n1
InChIInChI=1S/C19H19F2N5O/c1-12(2)25-17-7-9-23-19(26-17)24-11-13-4-3-8-22-18(13)27-16-6-5-14(20)10-15(16)21/h3-10,12H,11H2,1-2H3,(H2,23,24,25,26)
InChIKeyMDASKWFSMKWPMI-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.37
Rot. Bonds7

About 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 56742159) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID56742159
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(NCc2cccnc2Oc2ccc(F)cc2F)n1
InChIInChI=1S/C19H19F2N5O/c1-12(2)25-17-7-9-23-19(26-17)24-11-13-4-3-8-22-18(13)27-16-6-5-14(20)10-15(16)21/h3-10,12H,11H2,1-2H3,(H2,23,24,25,26)
InChIKeyMDASKWFSMKWPMI-UHFFFAOYSA-N
XLogP4.37
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 56742159) is 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1ccnc(NCc2cccnc2Oc2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is MDASKWFSMKWPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-12(2)25-17-7-9-23-19(26-17)24-11-13-4-3-8-22-18(13)27-16-6-5-14(20)10-15(16)21/h3-10,12H,11H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 371.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 56742159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).