N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine

C18H19N5O — CID 46833211

IUPACN-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCC(C)Nc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C18H19N5O/c1-13(2)22-17-18(21-12-11-20-17)24-15-8-6-14(7-9-15)23-16-5-3-4-10-19-16/h3-13H,1-2H3,(H,19,23)(H,20,22)
InChIKeyMIXMDQZCRHBURF-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.23
Rot. Bonds6

About N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine

N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (PubChem CID 46833211) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
PubChem CID46833211
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCC(C)Nc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C18H19N5O/c1-13(2)22-17-18(21-12-11-20-17)24-15-8-6-14(7-9-15)23-16-5-3-4-10-19-16/h3-13H,1-2H3,(H,19,23)(H,20,22)
InChIKeyMIXMDQZCRHBURF-UHFFFAOYSA-N
XLogP4.23
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The IUPAC name of N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (CID 46833211) is N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.
What is the SMILES notation for N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The canonical SMILES for N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is CC(C)Nc1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The InChIKey is MIXMDQZCRHBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13(2)22-17-18(21-12-11-20-17)24-15-8-6-14(7-9-15)23-16-5-3-4-10-19-16/h3-13H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 46833211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).