6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine

C16H14ClN5O — CID 167758081

IUPAC6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cccc(OCc3cccnc3)c2)n1
InChIInChI=1S/C16H14ClN5O/c17-14-8-15(22-16(18)21-14)20-12-4-1-5-13(7-12)23-10-11-3-2-6-19-9-11/h1-9H,10H2,(H3,18,20,21,22)
InChIKeyGMSAMCZKDNTTAM-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.43
Rot. Bonds5

About 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine

6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 167758081) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID167758081
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2cccc(OCc3cccnc3)c2)n1
InChIInChI=1S/C16H14ClN5O/c17-14-8-15(22-16(18)21-14)20-12-4-1-5-13(7-12)23-10-11-3-2-6-19-9-11/h1-9H,10H2,(H3,18,20,21,22)
InChIKeyGMSAMCZKDNTTAM-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzonitrile
CID 80734947
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoic acid
CID 19257146
6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55804721
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 119846154
6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
trifluoro-[3-(pyridin-3-ylmethoxy)phenyl]boranuide
CID 63678085
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine (CID 167758081) is 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine is Nc1nc(Cl)cc(Nc2cccc(OCc3cccnc3)c2)n1.
What is the InChIKey of 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is GMSAMCZKDNTTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-14-8-15(22-16(18)21-14)20-12-4-1-5-13(7-12)23-10-11-3-2-6-19-9-11/h1-9H,10H2,(H3,18,20,21,22).
What are the key properties of 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 327.78 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 167758081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).