4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C16H19F2N5 — CID 19140387

IUPAC4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCC1CCN(c2ncnc(Nc3ccc(F)cc3F)c2N)CC1
InChIInChI=1S/C16H19F2N5/c1-10-4-6-23(7-5-10)16-14(19)15(20-9-21-16)22-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7,19H2,1H3,(H,20,21,22)
InChIKeyRTKMRQNNAUHVKW-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.32
Rot. Bonds3

About 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19140387) has the molecular formula C16H19F2N5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID19140387
Molecular FormulaC16H19F2N5
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCC1CCN(c2ncnc(Nc3ccc(F)cc3F)c2N)CC1
InChIInChI=1S/C16H19F2N5/c1-10-4-6-23(7-5-10)16-14(19)15(20-9-21-16)22-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7,19H2,1H3,(H,20,21,22)
InChIKeyRTKMRQNNAUHVKW-UHFFFAOYSA-N
XLogP3.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 19140387) is 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is CC1CCN(c2ncnc(Nc3ccc(F)cc3F)c2N)CC1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is RTKMRQNNAUHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5/c1-10-4-6-23(7-5-10)16-14(19)15(20-9-21-16)22-13-3-2-11(17)8-12(13)18/h2-3,8-10H,4-7,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 319.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).