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

C20H21N5O2 — CID 3235123

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccnc(-c4c(C)noc4C)n3)c2c1
InChIInChI=1S/C20H21N5O2/c1-12-19(13(2)27-25-12)20-22-9-7-18(24-20)21-8-6-14-11-23-17-5-4-15(26-3)10-16(14)17/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,21,22,24)
InChIKeyHXTODKAEIKGASN-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.89
Rot. Bonds6

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3235123) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3235123
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccnc(-c4c(C)noc4C)n3)c2c1
InChIInChI=1S/C20H21N5O2/c1-12-19(13(2)27-25-12)20-22-9-7-18(24-20)21-8-6-14-11-23-17-5-4-15(26-3)10-16(14)17/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,21,22,24)
InChIKeyHXTODKAEIKGASN-UHFFFAOYSA-N
XLogP3.89
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3235123) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ccnc(-c4c(C)noc4C)n3)c2c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is HXTODKAEIKGASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-19(13(2)27-25-12)20-22-9-7-18(24-20)21-8-6-14-11-23-17-5-4-15(26-3)10-16(14)17/h4-5,7,9-11,23H,6,8H2,1-3H3,(H,21,22,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 363.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3235123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).