2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine

C19H25N5O2 — CID 154848225

IUPAC2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESc1cc(NC2CCNCC2)nc(Nc2ccc(OC3CCOC3)cc2)n1
InChIInChI=1S/C19H25N5O2/c1-3-16(26-17-8-12-25-13-17)4-2-14(1)23-19-21-11-7-18(24-19)22-15-5-9-20-10-6-15/h1-4,7,11,15,17,20H,5-6,8-10,12-13H2,(H2,21,22,23,24)
InChIKeyJAZVGRQZUDADTF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.55
Rot. Bonds6

About 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine

2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 154848225) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID154848225
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESc1cc(NC2CCNCC2)nc(Nc2ccc(OC3CCOC3)cc2)n1
InChIInChI=1S/C19H25N5O2/c1-3-16(26-17-8-12-25-13-17)4-2-14(1)23-19-21-11-7-18(24-19)22-15-5-9-20-10-6-15/h1-4,7,11,15,17,20H,5-6,8-10,12-13H2,(H2,21,22,23,24)
InChIKeyJAZVGRQZUDADTF-UHFFFAOYSA-N
XLogP2.55
TPSA80.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 154848225) is 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine is c1cc(NC2CCNCC2)nc(Nc2ccc(OC3CCOC3)cc2)n1.
What is the InChIKey of 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is JAZVGRQZUDADTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-16(26-17-8-12-25-13-17)4-2-14(1)23-19-21-11-7-18(24-19)22-15-5-9-20-10-6-15/h1-4,7,11,15,17,20H,5-6,8-10,12-13H2,(H2,21,22,23,24).
What are the key properties of 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine?
2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 355.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(oxolan-3-yloxy)phenyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 154848225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).