4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine

C16H14ClN5O — CID 19153291

IUPAC4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Oc1cccnc1
InChIInChI=1S/C16H14ClN5O/c17-13-6-2-1-4-11(13)8-20-15-14(18)16(22-10-21-15)23-12-5-3-7-19-9-12/h1-7,9-10H,8,18H2,(H,20,21,22)
InChIKeyQPLBAZNDMGNYEG-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.51
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine

4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine (PubChem CID 19153291) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
PubChem CID19153291
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2Cl)ncnc1Oc1cccnc1
InChIInChI=1S/C16H14ClN5O/c17-13-6-2-1-4-11(13)8-20-15-14(18)16(22-10-21-15)23-12-5-3-7-19-9-12/h1-7,9-10H,8,18H2,(H,20,21,22)
InChIKeyQPLBAZNDMGNYEG-UHFFFAOYSA-N
XLogP3.51
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-bromoquinolin-8-yl)oxy-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5-diamine
CID 19152823
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
4-N-hexadecyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19142465
4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144247
4-N-(1,3-benzodioxol-5-ylmethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 22542643
4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine
CID 19154177
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine (CID 19153291) is 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine is Nc1c(NCc2ccccc2Cl)ncnc1Oc1cccnc1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The InChIKey is QPLBAZNDMGNYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-13-6-2-1-4-11(13)8-20-15-14(18)16(22-10-21-15)23-12-5-3-7-19-9-12/h1-7,9-10H,8,18H2,(H,20,21,22).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine?
4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine has a molecular weight of 327.78 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19153291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).