6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine

C20H18N8O — CID 58237417

IUPAC6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine
SMILESNc1ccc(-c2cc(Nc3ccc(Oc4ccnc(N)c4)cc3)nc(N)n2)cn1
InChIInChI=1S/C20H18N8O/c21-17-6-1-12(11-25-17)16-10-19(28-20(23)27-16)26-13-2-4-14(5-3-13)29-15-7-8-24-18(22)9-15/h1-11H,(H2,21,25)(H2,22,24)(H3,23,26,27,28)
InChIKeyZRPJXYCLACIGMH-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.22
Rot. Bonds5

About 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine

6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine (PubChem CID 58237417) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine
PubChem CID58237417
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine
SMILESNc1ccc(-c2cc(Nc3ccc(Oc4ccnc(N)c4)cc3)nc(N)n2)cn1
InChIInChI=1S/C20H18N8O/c21-17-6-1-12(11-25-17)16-10-19(28-20(23)27-16)26-13-2-4-14(5-3-13)29-15-7-8-24-18(22)9-15/h1-11H,(H2,21,25)(H2,22,24)(H3,23,26,27,28)
InChIKeyZRPJXYCLACIGMH-UHFFFAOYSA-N
XLogP3.22
TPSA150.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine (CID 58237417) is 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine is Nc1ccc(-c2cc(Nc3ccc(Oc4ccnc(N)c4)cc3)nc(N)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine?
The InChIKey is ZRPJXYCLACIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c21-17-6-1-12(11-25-17)16-10-19(28-20(23)27-16)26-13-2-4-14(5-3-13)29-15-7-8-24-18(22)9-15/h1-11H,(H2,21,25)(H2,22,24)(H3,23,26,27,28).
What are the key properties of 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine?
6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine has a molecular weight of 386.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 58237417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).