2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

C19H18N4O2 — CID 3232600

IUPAC2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccnc(-c4ccoc4)n3)c2c1
InChIInChI=1S/C19H18N4O2/c1-24-15-2-3-17-16(10-15)13(11-22-17)4-7-20-18-5-8-21-19(23-18)14-6-9-25-12-14/h2-3,5-6,8-12,22H,4,7H2,1H3,(H,20,21,23)
InChIKeyBUIPJAXBVPYADU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.88
Rot. Bonds6

About 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3232600) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3232600
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccnc(-c4ccoc4)n3)c2c1
InChIInChI=1S/C19H18N4O2/c1-24-15-2-3-17-16(10-15)13(11-22-17)4-7-20-18-5-8-21-19(23-18)14-6-9-25-12-14/h2-3,5-6,8-12,22H,4,7H2,1H3,(H,20,21,23)
InChIKeyBUIPJAXBVPYADU-UHFFFAOYSA-N
XLogP3.88
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3232600) is 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ccnc(-c4ccoc4)n3)c2c1.
What is the InChIKey of 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BUIPJAXBVPYADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-15-2-3-17-16(10-15)13(11-22-17)4-7-20-18-5-8-21-19(23-18)14-6-9-25-12-14/h2-3,5-6,8-12,22H,4,7H2,1H3,(H,20,21,23).
What are the key properties of 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3232600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).