4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine

C22H19N5S — CID 19149747

IUPAC4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESNc1c(Sc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H19N5S/c23-20-21(25-16-26-22(20)28-18-11-5-2-6-12-18)27(19-13-7-8-14-24-19)15-17-9-3-1-4-10-17/h1-14,16H,15,23H2
InChIKeyHXIHSTMIKJABNY-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.94
Rot. Bonds6

About 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine

4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine (PubChem CID 19149747) has the molecular formula C22H19N5S and a molecular weight of 385.50 g/mol. Its IUPAC name is 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
PubChem CID19149747
Molecular FormulaC22H19N5S
Molecular Weight385.50 g/mol
Exact Mass385.14
IUPAC Name4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
SMILESNc1c(Sc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C22H19N5S/c23-20-21(25-16-26-22(20)28-18-11-5-2-6-12-18)27(19-13-7-8-14-24-19)15-17-9-3-1-4-10-17/h1-14,16H,15,23H2
InChIKeyHXIHSTMIKJABNY-UHFFFAOYSA-N
XLogP4.94
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine (CID 19149747) is 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine is Nc1c(Sc2ccccc2)ncnc1N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
The InChIKey is HXIHSTMIKJABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S/c23-20-21(25-16-26-22(20)28-18-11-5-2-6-12-18)27(19-13-7-8-14-24-19)15-17-9-3-1-4-10-17/h1-14,16H,15,23H2.
What are the key properties of 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine?
4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine has a molecular weight of 385.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19149747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).