2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine

C16H13ClN4O — CID 70681040

IUPAC2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O/c17-13-3-1-2-4-14(13)22-12-7-5-11(6-8-12)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
InChIKeyMRPYQYRDAONMAU-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.25
Rot. Bonds4

About 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine

2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 70681040) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID70681040
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O/c17-13-3-1-2-4-14(13)22-12-7-5-11(6-8-12)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21)
InChIKeyMRPYQYRDAONMAU-UHFFFAOYSA-N
XLogP4.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Chs-828
CID 148198
Ttbk1-IN-2
CID 162679313
4-(Pyrimidin-2-yloxy)aniline
CID 1484610
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2,4-Bis anilino pyrimidine deriv. 22
CID 6539005
N-[4-(2-chlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162640226
N-(6-chlorophenoxyhexyl)-N'cyano-N''-4-pyridylguanidine
CID 9947634
2,4-Bis anilino pyrimidine deriv. 3
CID 6538987
2,4-Bis anilino pyrimidine deriv. 8
CID 6538992
5-Chloro-N~4~-Cyclopropyl-N~2~-[4-(2-Methoxyethoxy)phenyl]pyrimidine-2,4-Diamine
CID 54765323
N-[3-[[5-chloro-2-[3-chloro-4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145990342
N-[3-[[5-chloro-2-[3-chloro-4-[3-(4-ethylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145994233

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine (CID 70681040) is 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccc(Oc3ccccc3Cl)cc2)n1.
What is the InChIKey of 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MRPYQYRDAONMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-13-3-1-2-4-14(13)22-12-7-5-11(6-8-12)20-16-19-10-9-15(18)21-16/h1-10H,(H3,18,19,20,21).
What are the key properties of 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine?
2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 312.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70681040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).