4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C16H19F2N5O — CID 112857717

IUPAC4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1F
InChIInChI=1S/C16H19F2N5O/c17-13-2-1-12(9-14(13)18)22-16-10-15(20-11-21-16)19-3-4-23-5-7-24-8-6-23/h1-2,9-11H,3-8H2,(H2,19,20,21,22)
InChIKeyDNRRNHRABUHMRY-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.24
Rot. Bonds6

About 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112857717) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112857717
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESFc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1F
InChIInChI=1S/C16H19F2N5O/c17-13-2-1-12(9-14(13)18)22-16-10-15(20-11-21-16)19-3-4-23-5-7-24-8-6-23/h1-2,9-11H,3-8H2,(H2,19,20,21,22)
InChIKeyDNRRNHRABUHMRY-UHFFFAOYSA-N
XLogP2.24
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 112857717) is 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Fc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1F.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is DNRRNHRABUHMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-13-2-1-12(9-14(13)18)22-16-10-15(20-11-21-16)19-3-4-23-5-7-24-8-6-23/h1-2,9-11H,3-8H2,(H2,19,20,21,22).
What are the key properties of 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 335.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).