5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine

C23H23N7O2 — CID 44589599

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCOc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1
InChIInChI=1S/C23H23N7O2/c1-31-19-13-15(9-11-24-19)10-12-25-23-26-14-18(22-30-29-21(32-22)16-7-8-16)20(28-23)27-17-5-3-2-4-6-17/h2-6,9,11,13-14,16H,7-8,10,12H2,1H3,(H2,25,26,27,28)
InChIKeyCXBSBKKWBBURFT-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.21
Rot. Bonds9

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 44589599) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
PubChem CID44589599
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCOc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1
InChIInChI=1S/C23H23N7O2/c1-31-19-13-15(9-11-24-19)10-12-25-23-26-14-18(22-30-29-21(32-22)16-7-8-16)20(28-23)27-17-5-3-2-4-6-17/h2-6,9,11,13-14,16H,7-8,10,12H2,1H3,(H2,25,26,27,28)
InChIKeyCXBSBKKWBBURFT-UHFFFAOYSA-N
XLogP4.21
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine (CID 44589599) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine is COc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is CXBSBKKWBBURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-31-19-13-15(9-11-24-19)10-12-25-23-26-14-18(22-30-29-21(32-22)16-7-8-16)20(28-23)27-17-5-3-2-4-6-17/h2-6,9,11,13-14,16H,7-8,10,12H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 429.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-N-[2-(2-methoxy-4-pyridinyl)ethyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 44589599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).